V011-3589 Screening compound: 1-(2-chloropropanoyl)-N-[2-(2-methylbenzamido)cyclohexyl]piperidine-4-carboxamide

V011-3589 Screening compound: 1-(2-chloropropanoyl)-N-[2-(2-methylbenzamido)cyclohexyl]piperidine-4-carboxamide
V011-3589 Screening compound: 1-(2-chloropropanoyl)-N-[2-(2-methylbenzamido)cyclohexyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-3589
1-(2-chloropropanoyl)-N-[2-(2-methylbenzamido)cyclohexyl]piperidine-4-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

V011-3589

Molecular Formula

C23H32ClN3O3 (C23 H32 ClN3 O3)

Compound Name

1-(2-chloropropanoyl)-N-[2-(2-methylbenzamido)cyclohexyl]piperidine-4-carboxamide

IUPAC name

1-(2-chloropropanoyl)-N-[(1R2R)-2-(2-methylbenzamido)cyclohexyl]piperidine-4-carboxamide

SMILES

CC(C(N(CC1)CCC1C(N[C@@H](CCCC1)[C@H]1NC(c1c(C)cccc1)=O)=O)=O)Cl

InChI

InChI=1S/C23H32ClN3O3/c1-15-7-3-4-8-18(15)22(29)26-20-10-6-5-9-19(20)25-21(28)17-11-13-27(14-12-17)23(30)16(2)24/h3-4,7-8,16-17,19-20H,5-6,9-14H2,1-2H3,(H,25,28)(H,26,29)/t16?,19-,20-/m0/s1

InChI Key

XHLINAWRPOKREM-RFFXKOPCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.834

Distribution Coefficient, logD

2.834

Water Solubility, LogSw

-3.35

Polar Surface Area

66.024

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

60.90

V011-3589 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V011-3589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-3589?
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What is the minimum amount of V011-3589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-3589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-3589
  • 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 V011-3589 available by request