V009-7723 Screening compound: 4-(2-{[(4-bromophenyl)carbamoyl]amino}-3-methylpentanoyl)-N-cyclohexyl-2-methylpiperazine-1-carboxamide

V009-7723 Screening compound: 4-(2-{[(4-bromophenyl)carbamoyl]amino}-3-methylpentanoyl)-N-cyclohexyl-2-methylpiperazine-1-carboxamide
V009-7723 Screening compound: 4-(2-{[(4-bromophenyl)carbamoyl]amino}-3-methylpentanoyl)-N-cyclohexyl-2-methylpiperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-7723
4-(2-{[(4-bromophenyl)carbamoyl]amino}-3-methylpentanoyl)-N-cyclohexyl-2-methylpiperazine-1-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

V009-7723

Molecular Formula

C25H38BrN5O3 (C25 H38 BrN5 O3)

Compound Name

4-(2-{[(4-bromophenyl)carbamoyl]amino}-3-methylpentanoyl)-N-cyclohexyl-2-methylpiperazine-1-carboxamide

IUPAC name

4-(2-{[(4-bromophenyl)carbamoyl]amino}-3-methylpentanoyl)-N-cyclohexyl-2-methylpiperazine-1-carboxamide

SMILES

CCC(C)C(C(N(CC1)CC(C)N1C(NC1CCCCC1)=O)=O)NC(Nc(cc1)ccc1Br)=O

InChI

InChI=1S/C25H38BrN5O3/c1-4-17(2)22(29-24(33)27-21-12-10-19(26)11-13-21)23(32)30-14-15-31(18(3)16-30)25(34)28-20-8-6-5-7-9-20/h10-13,17-18,20,22H,4-9,14-16H2,1-3H3,(H,28,34)(H2,27,29,33)

InChI Key

DRJFIVOOXKYCPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19713537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.945

Distribution Coefficient, logD

4.945

Water Solubility, LogSw

-4.41

Polar Surface Area

75.678

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

64.00

V009-7723 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V009-7723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-7723?
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What is the minimum amount of V009-7723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-7723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-7723
  • 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 V009-7723 available by request