J021-0220 Screening compound: N-(2,5-dimethylphenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide

J021-0220 Screening compound: N-(2,5-dimethylphenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
J021-0220 Screening compound: N-(2,5-dimethylphenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-0220
N-(2,5-dimethylphenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-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

J021-0220

Molecular Formula

C22H22N4O3S (C22 H22 N4 O3 S)

Compound Name

N-(2,5-dimethylphenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide

IUPAC name

N-(25-dimethylphenyl)-3-(3-{[(5-methyl-13-benzoxazol-2-yl)sulfanyl]methyl}-124-oxadiazol-5-yl)propanamide

SMILES

Cc(cc1)cc2c1oc(SCc1noc(CCC(Nc3c(C)ccc(C)c3)=O)n1)n2

InChI

InChI=1S/C22H22N4O3S/c1-13-4-6-15(3)16(10-13)23-20(27)8-9-21-25-19(26-29-21)12-30-22-24-17-11-14(2)5-7-18(17)28-22/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,27)

InChI Key

YZHHBMALPXGGGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.154

Distribution Coefficient, logD

4.154

Water Solubility, LogSw

-4.12

Polar Surface Area

71.415

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

J021-0220 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J021-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-0220?
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What is the minimum amount of J021-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-0220
  • 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 J021-0220 available by request