D064-0358 Screening compound: 1-({6-[(1E)-2-(2-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,3-benzodiazole

D064-0358 Screening compound: 1-({6-[(1E)-2-(2-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,3-benzodiazole
D064-0358 Screening compound: 1-({6-[(1E)-2-(2-methoxyphenyl)ethenyl]-[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 D064-0358
1-({6-[(1E)-2-(2-methoxyphenyl)ethenyl]-[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

D064-0358

Molecular Formula

C20H16N6OS (C20 H16 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

COc1c(/C=C/c(s2)nn3c2nnc3Cn2c(cccc3)c3nc2)cccc1

InChI

InChI=1S/C20H16N6OS/c1-27-17-9-5-2-6-14(17)10-11-19-24-26-18(22-23-20(26)28-19)12-25-13-21-15-7-3-4-8-16(15)25/h2-11,13H,12H2,1H3

InChI Key

PCXZJKRAZFXKRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06590389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.832

Distribution Coefficient, logD

1.716

Water Solubility, LogSw

-3.07

Polar Surface Area

53.280

Acid Dissociation Constant (pKa)

21.17

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D064-0358 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

CNS Targets (44014 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D064-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0358?
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What is the minimum amount of D064-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0358
  • 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 D064-0358 available by request