8017-7855 Screening compound: 3-(2-chlorophenyl)-N~4~-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N~4~,5-dimethyl-4-isoxazolecarboxamide

8017-7855 Screening compound: 3-(2-chlorophenyl)-N~4~-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N~4~,5-dimethyl-4-isoxazolecarboxamide
8017-7855 Screening compound: 3-(2-chlorophenyl)-N~4~-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N~4~,5-dimethyl-4-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7855
3-(2-chlorophenyl)-N~4~-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N~4~,5-dimethyl-4-isoxazolecarboxamide

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

8017-7855

Molecular Formula

C22H19ClN4O4 (C22 H19 ClN4 O4)

Compound Name

3-(2-chlorophenyl)-N~4~-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N~4~,5-dimethyl-4-isoxazolecarboxamide

IUPAC name

3-(2-chlorophenyl)-N-{[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}-N5-dimethyl-12-oxazole-4-carboxamide

SMILES

Cc1c(C(N(C)Cc2nc(-c(cc3)ccc3OC)no2)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C22H19ClN4O4/c1-13-19(20(25-30-13)16-6-4-5-7-17(16)23)22(28)27(2)12-18-24-21(26-31-18)14-8-10-15(29-3)11-9-14/h4-11H,12H2,1-3H3

InChI Key

DAUNMUYKJCAXRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.007

Distribution Coefficient, logD

4.007

Water Solubility, LogSw

-4.72

Polar Surface Area

77.236

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

-3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

References: we are preparing a list of scientific research reports with 8017-7855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7855?
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What is the minimum amount of 8017-7855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7855
  • 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 8017-7855 available by request