V009-0948 Screening compound: 1-(3-chloropropanoyl)-N~3~-{(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl}-3-piperidinecarboxamide

V009-0948 Screening compound: 1-(3-chloropropanoyl)-N~3~-{(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl}-3-piperidinecarboxamide
V009-0948 Screening compound: 1-(3-chloropropanoyl)-N~3~-{(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl}-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0948
1-(3-chloropropanoyl)-N~3~-{(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl}-3-piperidinecarboxamide

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

V009-0948

Molecular Formula

C22H29ClFN3O3 (C22 H29 ClFN3 O3)

Compound Name

1-(3-chloropropanoyl)-N~3~-{(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl}-3-piperidinecarboxamide

IUPAC name

n/a

SMILES

O=C(CCCl)N(CCC1)CC1C(N[C@@H](CCCC1)[C@H]1NC(c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C22H29ClFN3O3/c23-12-11-20(28)27-13-3-4-16(14-27)22(30)26-19-6-2-1-5-18(19)25-21(29)15-7-9-17(24)10-8-15/h7-10,16,18-19H,1-6,11-14H2,(H,25,29)(H,26,30)/t16?,18-,19-/m0/s1

InChI Key

FMBISPZADJQHNN-MSYFUGIWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.098

Distribution Coefficient, logD

2.098

Water Solubility, LogSw

-2.57

Polar Surface Area

65.430

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

59.09

References: we are preparing a list of scientific research reports with V009-0948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0948?
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What is the minimum amount of V009-0948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0948
  • 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 V009-0948 available by request