G542-0632 Screening compound: 5-[(4-methylphenyl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

G542-0632 Screening compound: 5-[(4-methylphenyl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
G542-0632 Screening compound: 5-[(4-methylphenyl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G542-0632
5-[(4-methylphenyl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G542-0632

Molecular Formula

C25H28N4O2S (C25 H28 N4 O2 S)

Compound Name

5-[(4-methylphenyl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

IUPAC name

5-[(4-methylphenyl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4H5H6H7H8H-pyrazolo[15-a][14]diazepine-2-carboxamide

SMILES

Cc1ccc(CN(CCCn(c2c3)nc3C(NCCc(cc3)ccc3SC)=O)C2=O)cc1

InChI

InChI=1S/C25H28N4O2S/c1-18-4-6-20(7-5-18)17-28-14-3-15-29-23(25(28)31)16-22(27-29)24(30)26-13-12-19-8-10-21(32-2)11-9-19/h4-11,16H,3,12-15,17H2,1-2H3,(H,26,30)

InChI Key

VMYNNNBDUHWHDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27143167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.569

Distribution Coefficient, logD

3.569

Water Solubility, LogSw

-3.80

Polar Surface Area

54.636

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

G542-0632 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Hsp90-Targeted Library (11355 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with G542-0632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G542-0632?
Check Price and Availability of G542-0632, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G542-0632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G542-0632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G542-0632
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G542-0632 available by request