V017-9836 Screening compound: 5-benzyl-N-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

V017-9836 Screening compound: 5-benzyl-N-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
V017-9836 Screening compound: 5-benzyl-N-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-9836
5-benzyl-N-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

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

V017-9836

Molecular Formula

C20H25N5O4 (C20 H25 N5 O4)

Compound Name

5-benzyl-N-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

IUPAC name

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

SMILES

COCCNC(CNC(c1nn(CCCN(Cc2ccccc2)C2=O)c2c1)=O)=O

InChI

InChI=1S/C20H25N5O4/c1-29-11-8-21-18(26)13-22-19(27)16-12-17-20(28)24(9-5-10-25(17)23-16)14-15-6-3-2-4-7-15/h2-4,6-7,12H,5,8-11,13-14H2,1H3,(H,21,26)(H,22,27)

InChI Key

QAVCEVZEMAHHQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19907741

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.589

Distribution Coefficient, logD

0.589

Water Solubility, LogSw

-2.02

Polar Surface Area

87.722

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V017-9836 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • 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 V017-9836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-9836?
Check Price and Availability of V017-9836, 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 V017-9836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-9836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-9836
  • 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 V017-9836 available by request