C599-0609 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,5-dimethyl-N-(propan-2-yl)benzamide

C599-0609 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,5-dimethyl-N-(propan-2-yl)benzamide
C599-0609 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,5-dimethyl-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C599-0609
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,5-dimethyl-N-(propan-2-yl)benzamide

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

C599-0609

Molecular Formula

C21H22ClN3O2 (C21 H22 ClN3 O2)

Compound Name

N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,5-dimethyl-N-(propan-2-yl)benzamide

IUPAC name

N-{[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl}-25-dimethyl-N-(propan-2-yl)benzamide

SMILES

CC(C)N(Cc1nc(-c(cc2)ccc2Cl)no1)C(c1c(C)ccc(C)c1)=O

InChI

InChI=1S/C21H22ClN3O2/c1-13(2)25(21(26)18-11-14(3)5-6-15(18)4)12-19-23-20(24-27-19)16-7-9-17(22)10-8-16/h5-11,13H,12H2,1-4H3

InChI Key

LTJNVJLQXUYKOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05790331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.768

Distribution Coefficient, logD

5.768

Water Solubility, LogSw

-5.89

Polar Surface Area

47.536

Acid Dissociation Constant (pKa)

26.53

Base Dissociation Constant (pKb)

-4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C599-0609 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C599-0609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C599-0609?
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What is the minimum amount of C599-0609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C599-0609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C599-0609
  • 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 C599-0609 available by request