V008-3483 Screening compound: 1-[(5-benzyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)carbonyl]-N~2~-(3-pyridylmethyl)-2-piperidinecarboxamide

V008-3483 Screening compound: 1-[(5-benzyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)carbonyl]-N~2~-(3-pyridylmethyl)-2-piperidinecarboxamide
V008-3483 Screening compound: 1-[(5-benzyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)carbonyl]-N~2~-(3-pyridylmethyl)-2-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3483
1-[(5-benzyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)carbonyl]-N~2~-(3-pyridylmethyl)-2-piperidinecarboxamide

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

V008-3483

Molecular Formula

C27H30N6O3 (C27 H30 N6 O3)

Compound Name

1-[(5-benzyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)carbonyl]-N~2~-(3-pyridylmethyl)-2-piperidinecarboxamide

IUPAC name

1-{5-benzyl-4-oxo-4H5H6H7H8H-pyrazolo[15-a][14]diazepine-2-carbonyl}-N-[(pyridin-3-yl)methyl]piperidine-2-carboxamide

SMILES

O=C(C(CCCC1)N1C(c1nn(CCCN(Cc2ccccc2)C2=O)c2c1)=O)NCc1cnccc1

InChI

InChI=1S/C27H30N6O3/c34-25(29-18-21-10-6-12-28-17-21)23-11-4-5-14-32(23)26(35)22-16-24-27(36)31(13-7-15-33(24)30-22)19-20-8-2-1-3-9-20/h1-3,6,8-10,12,16-17,23H,4-5,7,11,13-15,18-19H2,(H,29,34)/t23-/m0/s1

InChI Key

BFHKKTSWIJLZTB-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19907338

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.185

Distribution Coefficient, logD

1.183

Water Solubility, LogSw

-1.58

Polar Surface Area

80.655

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.04

V008-3483 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 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)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • 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 V008-3483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3483?
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What is the minimum amount of V008-3483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3483
  • 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 V008-3483 available by request