V021-8711 Screening compound: 2-(1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}-N-methylformamido)-N-(1-phenylethyl)acetamide

V021-8711 Screening compound: 2-(1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}-N-methylformamido)-N-(1-phenylethyl)acetamide
V021-8711 Screening compound: 2-(1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}-N-methylformamido)-N-(1-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-8711
2-(1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}-N-methylformamido)-N-(1-phenylethyl)acetamide

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

V021-8711

Molecular Formula

C26H29N5O3 (C26 H29 N5 O3)

Compound Name

2-(1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}-N-methylformamido)-N-(1-phenylethyl)acetamide

IUPAC name

2-(1-{5-benzyl-4-oxo-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-2-yl}-N-methylformamido)-N-(1-phenylethyl)acetamide

SMILES

CC(c1ccccc1)NC(CN(C)C(c1nn(CCCN(Cc2ccccc2)C2=O)c2c1)=O)=O

InChI

InChI=1S/C26H29N5O3/c1-19(21-12-7-4-8-13-21)27-24(32)18-29(2)25(33)22-16-23-26(34)30(14-9-15-31(23)28-22)17-20-10-5-3-6-11-20/h3-8,10-13,16,19H,9,14-15,17-18H2,1-2H3,(H,27,32)/t19-/m0/s1

InChI Key

VQJJPKKRUXIOPY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19907724

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.962

Distribution Coefficient, logD

1.962

Water Solubility, LogSw

-2.63

Polar Surface Area

70.167

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

V021-8711 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V021-8711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-8711?
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What is the minimum amount of V021-8711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-8711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-8711
  • 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 V021-8711 available by request