V014-7454 Screening compound: 5-benzyl-2-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-4-one

V014-7454 Screening compound: 5-benzyl-2-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-4-one
V014-7454 Screening compound: 5-benzyl-2-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-7454
5-benzyl-2-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-4-one

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

V014-7454

Molecular Formula

C27H36N6O3 (C27 H36 N6 O3)

Compound Name

5-benzyl-2-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-4-one

IUPAC name

5-benzyl-2-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-4-one

SMILES

CCN(CC1)CCN1C(C(CC1)CCN1C(c1nn(CCCN(Cc2ccccc2)C2=O)c2c1)=O)=O

InChI

InChI=1S/C27H36N6O3/c1-2-29-15-17-31(18-16-29)25(34)22-9-13-30(14-10-22)26(35)23-19-24-27(36)32(11-6-12-33(24)28-23)20-21-7-4-3-5-8-21/h3-5,7-8,19,22H,2,6,9-18,20H2,1H3

InChI Key

HIARSZJAZRMHHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19907351

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

492.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.089

Distribution Coefficient, logD

0.650

Water Solubility, LogSw

-1.97

Polar Surface Area

67.215

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

7.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

V014-7454 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 V014-7454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-7454?
Check Price and Availability of V014-7454, 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 V014-7454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-7454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-7454
  • 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 V014-7454 available by request