7009-0283 Screening compound: 3-(4-tert-butylphenyl)-6-[(1E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

7009-0283 Screening compound: 3-(4-tert-butylphenyl)-6-[(1E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
7009-0283 Screening compound: 3-(4-tert-butylphenyl)-6-[(1E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7009-0283
3-(4-tert-butylphenyl)-6-[(1E)-2-phenylethenyl]-[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

7009-0283

Molecular Formula

C21H20N4S (C21 H20 N4 S)

Compound Name

3-(4-tert-butylphenyl)-6-[(1E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

3-(4-tert-butylphenyl)-6-[(1E)-2-phenylethenyl]-[124]triazolo[34-b][134]thiadiazole

SMILES

CC(C)(C)c(cc1)ccc1-c1nnc2sc(/C=C/c3ccccc3)nn12

InChI

InChI=1S/C21H20N4S/c1-21(2,3)17-12-10-16(11-13-17)19-22-23-20-25(19)24-18(26-20)14-9-15-7-5-4-6-8-15/h4-14H,1-3H3

InChI Key

RJCUURWEORPLCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05087718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.799

Distribution Coefficient, logD

5.799

Water Solubility, LogSw

-5.91

Polar Surface Area

34.217

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

7009-0283 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7009-0283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7009-0283?
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What is the minimum amount of 7009-0283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7009-0283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7009-0283
  • 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 7009-0283 available by request