C599-0204 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(2-methoxyphenoxy)-N-(propan-2-yl)acetamide

C599-0204 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(2-methoxyphenoxy)-N-(propan-2-yl)acetamide
C599-0204 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(2-methoxyphenoxy)-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C599-0204
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(2-methoxyphenoxy)-N-(propan-2-yl)acetamide

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

C599-0204

Molecular Formula

C21H22ClN3O4 (C21 H22 ClN3 O4)

Compound Name

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

IUPAC name

N-{[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl}-2-(2-methoxyphenoxy)-N-(propan-2-yl)acetamide

SMILES

CC(C)N(Cc1nc(-c(cc2)ccc2Cl)no1)C(COc(cccc1)c1OC)=O

InChI

InChI=1S/C21H22ClN3O4/c1-14(2)25(20(26)13-28-18-7-5-4-6-17(18)27-3)12-19-23-21(24-29-19)15-8-10-16(22)11-9-15/h4-11,14H,12-13H2,1-3H3

InChI Key

VKLGHQJGSGNWRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05832516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.457

Distribution Coefficient, logD

4.457

Water Solubility, LogSw

-4.72

Polar Surface Area

62.225

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C599-0204 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C599-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C599-0204?
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What is the minimum amount of C599-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C599-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C599-0204
  • 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 C599-0204 available by request