J021-1966 Screening compound: N-(1,3-thiazol-2-yl)-3-[3-({[4-(thiophen-2-yl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

J021-1966 Screening compound: N-(1,3-thiazol-2-yl)-3-[3-({[4-(thiophen-2-yl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
J021-1966 Screening compound: N-(1,3-thiazol-2-yl)-3-[3-({[4-(thiophen-2-yl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-1966
N-(1,3-thiazol-2-yl)-3-[3-({[4-(thiophen-2-yl)-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

J021-1966

Molecular Formula

C16H13N5O2S4 (C16 H13 N5 O2 S4)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCc1nc(CSc2nc(-c3cccs3)cs2)no1)Nc1nccs1

InChI

InChI=1S/C16H13N5O2S4/c22-13(20-15-17-5-7-25-15)3-4-14-19-12(21-23-14)9-27-16-18-10(8-26-16)11-2-1-6-24-11/h1-2,5-8H,3-4,9H2,(H,17,20,22)

InChI Key

YBGOVTNARCQTBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.971

Distribution Coefficient, logD

3.970

Water Solubility, LogSw

-4.16

Polar Surface Area

76.042

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

J021-1966 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J021-1966 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J021-1966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-1966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-1966
  • 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 J021-1966 available by request