D181-0139 Screening compound: 6-[(1E)-2-(3-chlorophenyl)ethenyl]-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D181-0139 Screening compound: 6-[(1E)-2-(3-chlorophenyl)ethenyl]-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D181-0139 Screening compound: 6-[(1E)-2-(3-chlorophenyl)ethenyl]-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D181-0139
6-[(1E)-2-(3-chlorophenyl)ethenyl]-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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

D181-0139

Molecular Formula

C16H11ClN4OS (C16 H11 ClN4 OS)

Compound Name

6-[(1E)-2-(3-chlorophenyl)ethenyl]-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

6-[(1E)-2-(3-chlorophenyl)ethenyl]-3-(2-methylfuran-3-yl)-[124]triazolo[34-b][134]thiadiazole

SMILES

Cc(occ1)c1-c1nnc2sc(/C=C/c3cccc(Cl)c3)nn12

InChI

InChI=1S/C16H11ClN4OS/c1-10-13(7-8-22-10)15-18-19-16-21(15)20-14(23-16)6-5-11-3-2-4-12(17)9-11/h2-9H,1H3

InChI Key

MMBCJONRAWFYKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07802194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.826

Distribution Coefficient, logD

3.826

Water Solubility, LogSw

-4.27

Polar Surface Area

42.450

Acid Dissociation Constant (pKa)

31.70

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D181-0139 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D181-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D181-0139?
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What is the minimum amount of D181-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D181-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D181-0139
  • 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 D181-0139 available by request