V018-5379 Screening compound: 2-({5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-3-methyl-N-(3-methylbutyl)butanamide

V018-5379 Screening compound: 2-({5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-3-methyl-N-(3-methylbutyl)butanamide
V018-5379 Screening compound: 2-({5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-3-methyl-N-(3-methylbutyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5379
2-({5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-3-methyl-N-(3-methylbutyl)butanamide

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

V018-5379

Molecular Formula

C25H35N5O3 (C25 H35 N5 O3)

Compound Name

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

IUPAC name

2-({5-benzyl-4-oxo-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-2-yl}formamido)-3-methyl-N-(3-methylbutyl)butanamide

SMILES

CC(C)CCNC(C(C(C)C)NC(c1nn(CCCN(Cc2ccccc2)C2=O)c2c1)=O)=O

InChI

InChI=1S/C25H35N5O3/c1-17(2)11-12-26-24(32)22(18(3)4)27-23(31)20-15-21-25(33)29(13-8-14-30(21)28-20)16-19-9-6-5-7-10-19/h5-7,9-10,15,17-18,22H,8,11-14,16H2,1-4H3,(H,26,32)(H,27,31)/t22-/m0/s1

InChI Key

UOEKBHZDDNSBDD-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19907456

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

453.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.783

Distribution Coefficient, logD

2.783

Water Solubility, LogSw

-3.33

Polar Surface Area

78.945

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

V018-5379 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 V018-5379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5379?
Check Price and Availability of V018-5379, 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 V018-5379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5379
  • 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 V018-5379 available by request