V023-5486 Screening compound: 2-(N-methyl-1-{5-[(3-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-N-propylacetamide

V023-5486 Screening compound: 2-(N-methyl-1-{5-[(3-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-N-propylacetamide
V023-5486 Screening compound: 2-(N-methyl-1-{5-[(3-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-5486
2-(N-methyl-1-{5-[(3-methylphenyl)methyl]-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-N-propylacetamide

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

V023-5486

Molecular Formula

C22H29N5O3 (C22 H29 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCNC(CN(C)C(c1nn(CCCN(Cc2cc(C)ccc2)C2=O)c2c1)=O)=O

InChI

InChI=1S/C22H29N5O3/c1-4-9-23-20(28)15-25(3)21(29)18-13-19-22(30)26(10-6-11-27(19)24-18)14-17-8-5-7-16(2)12-17/h5,7-8,12-13H,4,6,9-11,14-15H2,1-3H3,(H,23,28)

InChI Key

WVMYGTWBOFCOIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19907888

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.441

Distribution Coefficient, logD

1.441

Water Solubility, LogSw

-2.14

Polar Surface Area

71.117

Acid Dissociation Constant (pKa)

15.75

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

V023-5486 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)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with V023-5486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-5486?
Check Price and Availability of V023-5486, 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 V023-5486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-5486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-5486
  • 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 V023-5486 available by request