G542-1198 Screening compound: 5-[(4-chlorophenyl)methyl]-4-oxo-N-[3-(propan-2-yloxy)propyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

G542-1198 Screening compound: 5-[(4-chlorophenyl)methyl]-4-oxo-N-[3-(propan-2-yloxy)propyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
G542-1198 Screening compound: 5-[(4-chlorophenyl)methyl]-4-oxo-N-[3-(propan-2-yloxy)propyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G542-1198
5-[(4-chlorophenyl)methyl]-4-oxo-N-[3-(propan-2-yloxy)propyl]-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

G542-1198

Molecular Formula

C21H27ClN4O3 (C21 H27 ClN4 O3)

Compound Name

5-[(4-chlorophenyl)methyl]-4-oxo-N-[3-(propan-2-yloxy)propyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

IUPAC name

5-[(4-chlorophenyl)methyl]-4-oxo-N-[3-(propan-2-yloxy)propyl]-4H5H6H7H8H-pyrazolo[15-a][14]diazepine-2-carboxamide

SMILES

CC(C)OCCCNC(c1nn(CCCN(Cc(cc2)ccc2Cl)C2=O)c2c1)=O

InChI

InChI=1S/C21H27ClN4O3/c1-15(2)29-12-3-9-23-20(27)18-13-19-21(28)25(10-4-11-26(19)24-18)14-16-5-7-17(22)8-6-16/h5-8,13,15H,3-4,9-12,14H2,1-2H3,(H,23,27)

InChI Key

OEIOKFBAZTXSJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15017855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.254

Distribution Coefficient, logD

2.254

Water Solubility, LogSw

-3.46

Polar Surface Area

62.109

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

G542-1198 in Drug Discovery

Included in Screening Libraries

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)

Included in 1.7M Stock Database

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
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with G542-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G542-1198?
Check Price and Availability of G542-1198, 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 G542-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G542-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G542-1198
  • 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 G542-1198 available by request