D064-0130 Screening compound: 6-[(4-chlorophenyl)methyl]-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D064-0130 Screening compound: 6-[(4-chlorophenyl)methyl]-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D064-0130 Screening compound: 6-[(4-chlorophenyl)methyl]-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0130
6-[(4-chlorophenyl)methyl]-3-(2-methoxyphenyl)-[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

D064-0130

Molecular Formula

C17H13ClN4OS (C17 H13 ClN4 OS)

Compound Name

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

IUPAC name

6-[(4-chlorophenyl)methyl]-3-(2-methoxyphenyl)-[124]triazolo[34-b][134]thiadiazole

SMILES

COc(cccc1)c1-c1nnc2sc(Cc(cc3)ccc3Cl)nn12

InChI

InChI=1S/C17H13ClN4OS/c1-23-14-5-3-2-4-13(14)16-19-20-17-22(16)21-15(24-17)10-11-6-8-12(18)9-7-11/h2-9H,10H2,1H3

InChI Key

NJIPFOFMTBHKQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06590439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.84

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

3.827

Distribution Coefficient, logD

3.827

Water Solubility, LogSw

-4.41

Polar Surface Area

41.847

Acid Dissociation Constant (pKa)

28.34

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with D064-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0130?
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What is the minimum amount of D064-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0130
  • 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 D064-0130 available by request