J021-0203 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide

J021-0203 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
J021-0203 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-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 J021-0203
N-(5-methyl-1,3,4-thiadiazol-2-yl)-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

J021-0203

Molecular Formula

C17H16N6O3S2 (C17 H16 N6 O3 S2)

Compound Name

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

IUPAC name

N-(5-methyl-134-thiadiazol-2-yl)-3-(3-{[(5-methyl-13-benzoxazol-2-yl)sulfanyl]methyl}-124-oxadiazol-5-yl)propanamide

SMILES

Cc1nnc(NC(CCc2nc(CSc3nc(cc(C)cc4)c4o3)no2)=O)s1

InChI

InChI=1S/C17H16N6O3S2/c1-9-3-4-12-11(7-9)18-17(25-12)27-8-13-19-15(26-23-13)6-5-14(24)20-16-22-21-10(2)28-16/h3-4,7H,5-6,8H2,1-2H3,(H,20,22,24)

InChI Key

VZHPKEUDLJTDDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.940

Distribution Coefficient, logD

2.849

Water Solubility, LogSw

-3.26

Polar Surface Area

95.464

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

J021-0203 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J021-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J021-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-0203
  • 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 J021-0203 available by request