J021-0695 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[3-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

J021-0695 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[3-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
J021-0695 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[3-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-0695
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[3-({[5-(2-methylphenyl)-1,3,4-oxadiazol-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

J021-0695

Molecular Formula

C18H17N7O3S2 (C18 H17 N7 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nnc(NC(CCc2nc(CSc3nnc(-c4c(C)cccc4)o3)no2)=O)s1

InChI

InChI=1S/C18H17N7O3S2/c1-10-5-3-4-6-12(10)16-22-24-18(27-16)29-9-13-19-15(28-25-13)8-7-14(26)20-17-23-21-11(2)30-17/h3-6H,7-9H2,1-2H3,(H,20,23,26)

InChI Key

HDNICSSAIDMRJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.276

Distribution Coefficient, logD

2.186

Water Solubility, LogSw

-2.94

Polar Surface Area

108.898

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

J021-0695 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with J021-0695 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J021-0695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-0695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-0695
  • 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 J021-0695 available by request