E225-0734 Screening compound: N-[(2-methoxyphenyl)methyl]-6-methyl-5-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

E225-0734 Screening compound: N-[(2-methoxyphenyl)methyl]-6-methyl-5-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
E225-0734 Screening compound: N-[(2-methoxyphenyl)methyl]-6-methyl-5-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E225-0734
N-[(2-methoxyphenyl)methyl]-6-methyl-5-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-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

E225-0734

Molecular Formula

C31H32N4O3S (C31 H32 N4 O3 S)

Compound Name

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

IUPAC name

N-[(2-methoxyphenyl)methyl]-6-methyl-5-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-2-phenyl-4H5H6H7H-pyrazolo[15-a]pyrazine-6-carboxamide

SMILES

CC(Cn(c1c2)nc2-c2ccccc2)(C(NCc(cccc2)c2OC)=O)N(CCc(cc2)ccc2SC)C1=O

InChI

InChI=1S/C31H32N4O3S/c1-31(30(37)32-20-24-11-7-8-12-28(24)38-2)21-35-27(19-26(33-35)23-9-5-4-6-10-23)29(36)34(31)18-17-22-13-15-25(39-3)16-14-22/h4-16,19H,17-18,20-21H2,1-3H3,(H,32,37)/t31-/m0/s1

InChI Key

YLUWYLZNAALYAS-HKBQPEDESA-N

MDL Number (MFCD)

MFCD14849626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.748

Distribution Coefficient, logD

5.747

Water Solubility, LogSw

-5.40

Polar Surface Area

61.082

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.80

E225-0734 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E225-0734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E225-0734?
Check Price and Availability of E225-0734, 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 E225-0734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E225-0734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E225-0734
  • 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 E225-0734 available by request