V022-5897 Screening compound: 3-(N-ethyl-1-{5-[(4-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-N-[2-(piperidin-1-yl)ethyl]propanamide

V022-5897 Screening compound: 3-(N-ethyl-1-{5-[(4-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-N-[2-(piperidin-1-yl)ethyl]propanamide
V022-5897 Screening compound: 3-(N-ethyl-1-{5-[(4-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-N-[2-(piperidin-1-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-5897
3-(N-ethyl-1-{5-[(4-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-N-[2-(piperidin-1-yl)ethyl]propanamide

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

V022-5897

Molecular Formula

C28H40N6O3 (C28 H40 N6 O3)

Compound Name

3-(N-ethyl-1-{5-[(4-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-N-[2-(piperidin-1-yl)ethyl]propanamide

IUPAC name

3-(N-ethyl-1-{5-[(4-methylphenyl)methyl]-4-oxo-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-2-yl}formamido)-N-[2-(piperidin-1-yl)ethyl]propanamide

SMILES

CCN(CCC(NCCN1CCCCC1)=O)C(c1nn(CCCN(Cc2ccc(C)cc2)C2=O)c2c1)=O

InChI

InChI=1S/C28H40N6O3/c1-3-32(18-12-26(35)29-13-19-31-14-5-4-6-15-31)27(36)24-20-25-28(37)33(16-7-17-34(25)30-24)21-23-10-8-22(2)9-11-23/h8-11,20H,3-7,12-19,21H2,1-2H3,(H,29,35)

InChI Key

KGVPXGWSWNWKRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19907559

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

508.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.735

Distribution Coefficient, logD

0.011

Water Solubility, LogSw

-2.43

Polar Surface Area

74.591

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

9.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

V022-5897 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with V022-5897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-5897?
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What is the minimum amount of V022-5897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-5897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-5897
  • 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 V022-5897 available by request