J021-3411 Screening compound: 3-(3-{[(5,6-dimethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

J021-3411 Screening compound: 3-(3-{[(5,6-dimethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
J021-3411 Screening compound: 3-(3-{[(5,6-dimethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-3411
3-(3-{[(5,6-dimethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-methyl-1,2-oxazol-3-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

J021-3411

Molecular Formula

C19H20N6O3S (C19 H20 N6 O3 S)

Compound Name

3-(3-{[(5,6-dimethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

IUPAC name

3-(3-{[(56-dimethyl-1H-13-benzodiazol-2-yl)sulfanyl]methyl}-124-oxadiazol-5-yl)-N-(5-methyl-12-oxazol-3-yl)propanamide

SMILES

Cc1cc(NC(CCc2nc(CSc3nc(cc(C)c(C)c4)c4[nH]3)no2)=O)no1

InChI

InChI=1S/C19H20N6O3S/c1-10-6-13-14(7-11(10)2)21-19(20-13)29-9-16-23-18(28-25-16)5-4-17(26)22-15-8-12(3)27-24-15/h6-8H,4-5,9H2,1-3H3,(H,20,21)(H,22,24,26)

InChI Key

XPZVBTGUJFZIGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.659

Distribution Coefficient, logD

3.471

Water Solubility, LogSw

-3.88

Polar Surface Area

95.258

Acid Dissociation Constant (pKa)

8.47

Base Dissociation Constant (pKb)

7.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

J021-3411 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with J021-3411 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-3411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-3411
  • 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 J021-3411 available by request