V018-5450 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-propylbutanamide

V018-5450 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-propylbutanamide
V018-5450 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-propylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5450
2-({5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}formamido)-3-methyl-N-propylbutanamide

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

V018-5450

Molecular Formula

C23H31N5O3 (C23 H31 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-propylbutanamide

IUPAC name

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

SMILES

CCCNC(C(C(C)C)NC(c1nn(CCCN(Cc2ccccc2)C2=O)c2c1)=O)=O

InChI

InChI=1S/C23H31N5O3/c1-4-11-24-22(30)20(16(2)3)25-21(29)18-14-19-23(31)27(12-8-13-28(19)26-18)15-17-9-6-5-7-10-17/h5-7,9-10,14,16,20H,4,8,11-13,15H2,1-3H3,(H,24,30)(H,25,29)/t20-/m0/s1

InChI Key

AZJJLSVSFQAFJG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19907763

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.983

Distribution Coefficient, logD

1.983

Water Solubility, LogSw

-2.62

Polar Surface Area

78.945

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

V018-5450 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)

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 V018-5450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5450?
Check Price and Availability of V018-5450, 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 V018-5450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5450
  • 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 V018-5450 available by request