D064-0357 Screening compound: 1-({6-[(1E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,3-benzodiazole

D064-0357 Screening compound: 1-({6-[(1E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,3-benzodiazole
D064-0357 Screening compound: 1-({6-[(1E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0357
1-({6-[(1E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,3-benzodiazole

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

D064-0357

Molecular Formula

C19H14N6S (C19 H14 N6 S)

Compound Name

1-({6-[(1E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,3-benzodiazole

IUPAC name

1-({6-[(1E)-2-phenylethenyl]-[124]triazolo[34-b][134]thiadiazol-3-yl}methyl)-1H-13-benzodiazole

SMILES

C(c1nnc2sc(/C=C/c3ccccc3)nn12)n1c(cccc2)c2nc1

InChI

InChI=1S/C19H14N6S/c1-2-6-14(7-3-1)10-11-18-23-25-17(21-22-19(25)26-18)12-24-13-20-15-8-4-5-9-16(15)24/h1-11,13H,12H2

InChI Key

ITBWBQGHNDUXQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05882923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.721

Distribution Coefficient, logD

1.604

Water Solubility, LogSw

-2.73

Polar Surface Area

45.649

Acid Dissociation Constant (pKa)

21.17

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

D064-0357 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D064-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D064-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0357
  • 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 D064-0357 available by request