J021-1001 Screening compound: N-(2,3-dimethylphenyl)-3-(3-{[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide

J021-1001 Screening compound: N-(2,3-dimethylphenyl)-3-(3-{[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
J021-1001 Screening compound: N-(2,3-dimethylphenyl)-3-(3-{[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-1001
N-(2,3-dimethylphenyl)-3-(3-{[(4-phenyl-1,3-thiazol-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

J021-1001

Molecular Formula

C23H22N4O2S2 (C23 H22 N4 O2 S2)

Compound Name

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

IUPAC name

N-(23-dimethylphenyl)-3-(3-{[(4-phenyl-13-thiazol-2-yl)sulfanyl]methyl}-124-oxadiazol-5-yl)propanamide

SMILES

Cc1cccc(NC(CCc2nc(CSc3nc(-c4ccccc4)cs3)no2)=O)c1C

InChI

InChI=1S/C23H22N4O2S2/c1-15-7-6-10-18(16(15)2)24-21(28)11-12-22-26-20(27-29-22)14-31-23-25-19(13-30-23)17-8-4-3-5-9-17/h3-10,13H,11-12,14H2,1-2H3,(H,24,28)

InChI Key

AWWZVUUOMJLRNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD24847667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.724

Distribution Coefficient, logD

5.724

Water Solubility, LogSw

-5.47

Polar Surface Area

63.847

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

J021-1001 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 J021-1001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-1001?
Check Price and Availability of J021-1001, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J021-1001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-1001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-1001
  • 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 J021-1001 available by request