J021-1541 Screening compound: 3-{3-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(2,4-dimethylphenyl)propanamide

J021-1541 Screening compound: 3-{3-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(2,4-dimethylphenyl)propanamide
J021-1541 Screening compound: 3-{3-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(2,4-dimethylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-1541
3-{3-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(2,4-dimethylphenyl)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

J021-1541

Molecular Formula

C21H21N5O2S (C21 H21 N5 O2 S)

Compound Name

3-{3-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(2,4-dimethylphenyl)propanamide

IUPAC name

3-{3-[(1H-13-benzodiazol-2-ylsulfanyl)methyl]-124-oxadiazol-5-yl}-N-(24-dimethylphenyl)propanamide

SMILES

Cc(cc1)cc(C)c1NC(CCc1nc(CSc2nc(cccc3)c3[nH]2)no1)=O

InChI

InChI=1S/C21H21N5O2S/c1-13-7-8-15(14(2)11-13)22-19(27)9-10-20-25-18(26-28-20)12-29-21-23-16-5-3-4-6-17(16)24-21/h3-8,11H,9-10,12H2,1-2H3,(H,22,27)(H,23,24)

InChI Key

VXZWBNLJNDFYNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.568

Distribution Coefficient, logD

3.471

Water Solubility, LogSw

-3.78

Polar Surface Area

72.765

Acid Dissociation Constant (pKa)

13.53

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with J021-1541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-1541?
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What is the minimum amount of J021-1541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-1541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-1541
  • 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 J021-1541 available by request