K786-9169 Screening compound: 1-(3-chloro-4-fluorophenyl)-N~3~-(4-methylcyclohexyl)-5-oxo-3-pyrrolidinecarboxamide

K786-9169 Screening compound: 1-(3-chloro-4-fluorophenyl)-N~3~-(4-methylcyclohexyl)-5-oxo-3-pyrrolidinecarboxamide
K786-9169 Screening compound: 1-(3-chloro-4-fluorophenyl)-N~3~-(4-methylcyclohexyl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9169
1-(3-chloro-4-fluorophenyl)-N~3~-(4-methylcyclohexyl)-5-oxo-3-pyrrolidinecarboxamide

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

K786-9169

Molecular Formula

C18H22ClFN2O2 (C18 H22 ClFN2 O2)

Compound Name

1-(3-chloro-4-fluorophenyl)-N~3~-(4-methylcyclohexyl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

1-(3-chloro-4-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

SMILES

CC(CC1)CCC1NC(C(CC1=O)CN1c(cc1)cc(Cl)c1F)=O

InChI

InChI=1S/C18H22ClFN2O2/c1-11-2-4-13(5-3-11)21-18(24)12-8-17(23)22(10-12)14-6-7-16(20)15(19)9-14/h6-7,9,11-13H,2-5,8,10H2,1H3,(H,21,24)/t11?,12-,13?/m1/s1

InChI Key

JRRGXQASHCJKLH-OTTFEQOBSA-N

MDL Number (MFCD)

MFCD15102205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.776

Distribution Coefficient, logD

3.776

Water Solubility, LogSw

-4.11

Polar Surface Area

41.127

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

References: we are preparing a list of scientific research reports with K786-9169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9169?
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What is the minimum amount of K786-9169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9169
  • 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 K786-9169 available by request