C599-0589 Screening compound: N-{[3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL}-3-CYCLOPENTYL-N-(PROPAN-2-YL)PROPANAMIDE

C599-0589 Screening compound: N-{[3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL}-3-CYCLOPENTYL-N-(PROPAN-2-YL)PROPANAMIDE
C599-0589 Screening compound: N-{[3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL}-3-CYCLOPENTYL-N-(PROPAN-2-YL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C599-0589
N-{[3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL}-3-CYCLOPENTYL-N-(PROPAN-2-YL)PROPANAMIDE

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

C599-0589

Molecular Formula

C20H26ClN3O2 (C20 H26 ClN3 O2)

Compound Name

N-{[3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL}-3-CYCLOPENTYL-N-(PROPAN-2-YL)PROPANAMIDE

IUPAC name

n/a

SMILES

CC(C)N(Cc1nc(-c(cc2)ccc2Cl)no1)C(CCC1CCCC1)=O

InChI

InChI=1S/C20H26ClN3O2/c1-14(2)24(19(25)12-7-15-5-3-4-6-15)13-18-22-20(23-26-18)16-8-10-17(21)11-9-16/h8-11,14-15H,3-7,12-13H2,1-2H3

InChI Key

JHUQTSSHKCFBMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05832560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.420

Distribution Coefficient, logD

5.420

Water Solubility, LogSw

-6.03

Polar Surface Area

47.567

Acid Dissociation Constant (pKa)

24.49

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.00

C599-0589 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C599-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C599-0589?
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What is the minimum amount of C599-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C599-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C599-0589
  • 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 C599-0589 available by request