7009-0473 Screening compound: 3-(2-chlorophenyl)-6-[(1E)-2-(2-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

7009-0473 Screening compound: 3-(2-chlorophenyl)-6-[(1E)-2-(2-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
7009-0473 Screening compound: 3-(2-chlorophenyl)-6-[(1E)-2-(2-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7009-0473
3-(2-chlorophenyl)-6-[(1E)-2-(2-methoxyphenyl)ethenyl]-[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

7009-0473

Molecular Formula

C18H13ClN4OS (C18 H13 ClN4 OS)

Compound Name

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

IUPAC name

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

SMILES

COc1c(/C=C/c(s2)nn3c2nnc3-c(cccc2)c2Cl)cccc1

InChI

InChI=1S/C18H13ClN4OS/c1-24-15-9-5-2-6-12(15)10-11-16-22-23-17(20-21-18(23)25-16)13-7-3-4-8-14(13)19/h2-11H,1H3

InChI Key

FCQGXCJSILWCFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05087885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.347

Distribution Coefficient, logD

4.347

Water Solubility, LogSw

-4.58

Polar Surface Area

41.847

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

7009-0473 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 7009-0473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7009-0473?
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What is the minimum amount of 7009-0473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7009-0473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7009-0473
  • 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 7009-0473 available by request