V026-8313 Screening compound: N-benzyl-3-(N-ethyl-1-{5-[(2-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-N-methylpropanamide

V026-8313 Screening compound: N-benzyl-3-(N-ethyl-1-{5-[(2-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-N-methylpropanamide
V026-8313 Screening compound: N-benzyl-3-(N-ethyl-1-{5-[(2-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-N-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-8313
N-benzyl-3-(N-ethyl-1-{5-[(2-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-N-methylpropanamide

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

V026-8313

Molecular Formula

C29H35N5O3 (C29 H35 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(CCC(N(C)Cc1ccccc1)=O)C(c1nn(CCCN(Cc2c(C)cccc2)C2=O)c2c1)=O

InChI

InChI=1S/C29H35N5O3/c1-4-32(18-15-27(35)31(3)20-23-12-6-5-7-13-23)28(36)25-19-26-29(37)33(16-10-17-34(26)30-25)21-24-14-9-8-11-22(24)2/h5-9,11-14,19H,4,10,15-18,20-21H2,1-3H3

InChI Key

LQKZXLHTVJGOQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19907647

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

501.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.694

Distribution Coefficient, logD

3.694

Water Solubility, LogSw

-3.77

Polar Surface Area

62.190

Acid Dissociation Constant (pKa)

22.86

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.93

V026-8313 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V026-8313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-8313?
Check Price and Availability of V026-8313, 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 V026-8313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-8313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-8313
  • 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 V026-8313 available by request