V008-4887 Screening compound: 3-(1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}-N-(2-methoxyethyl)formamido)-N-[2-(pyridin-2-yl)ethyl]propanamide

V008-4887 Screening compound: 3-(1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}-N-(2-methoxyethyl)formamido)-N-[2-(pyridin-2-yl)ethyl]propanamide
V008-4887 Screening compound: 3-(1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}-N-(2-methoxyethyl)formamido)-N-[2-(pyridin-2-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4887
3-(1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}-N-(2-methoxyethyl)formamido)-N-[2-(pyridin-2-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

V008-4887

Molecular Formula

C28H34N6O4 (C28 H34 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

COCCN(CCC(NCCc1ncccc1)=O)C(c1nn(CCCN(Cc2ccccc2)C2=O)c2c1)=O

InChI

InChI=1S/C28H34N6O4/c1-38-19-18-32(17-12-26(35)30-14-11-23-10-5-6-13-29-23)27(36)24-20-25-28(37)33(15-7-16-34(25)31-24)21-22-8-3-2-4-9-22/h2-6,8-10,13,20H,7,11-12,14-19,21H2,1H3,(H,30,35)

InChI Key

CHCLXIATUIWHML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19907795

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

518.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.651

Distribution Coefficient, logD

0.646

Water Solubility, LogSw

-1.88

Polar Surface Area

88.748

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

V008-4887 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 V008-4887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4887?
Check Price and Availability of V008-4887, 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 V008-4887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4887
  • 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 V008-4887 available by request