V028-5966 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)acetamide

V028-5966 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)acetamide
V028-5966 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5966
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)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

V028-5966

Molecular Formula

C25H25N5O5 (C25 H25 N5 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-({5-benzyl-4-oxo-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-2-yl}formamido)acetamide

SMILES

O=C(CNC(c1nn(CCCN(Cc2ccccc2)C2=O)c2c1)=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C25H25N5O5/c31-23(26-13-18-7-8-21-22(11-18)35-16-34-21)14-27-24(32)19-12-20-25(33)29(9-4-10-30(20)28-19)15-17-5-2-1-3-6-17/h1-3,5-8,11-12H,4,9-10,13-16H2,(H,26,31)(H,27,32)

InChI Key

XWIBWTMOGRKUFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14499649

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

475.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.168

Distribution Coefficient, logD

2.168

Water Solubility, LogSw

-2.83

Polar Surface Area

96.382

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V028-5966 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Endocrine
Targets:
  • Kinases
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 V028-5966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5966?
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What is the minimum amount of V028-5966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5966
  • 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 V028-5966 available by request