D727-0368 Screening compound: 3-(4-chlorophenyl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D727-0368 Screening compound: 3-(4-chlorophenyl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D727-0368 Screening compound: 3-(4-chlorophenyl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0368
3-(4-chlorophenyl)-6-[(3-methylphenoxy)methyl]-[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

D727-0368

Molecular Formula

C17H13ClN4OS (C17 H13 ClN4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(OCc(s2)nn3c2nnc3-c(cc2)ccc2Cl)c1

InChI

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

InChI Key

UZADKRFGWXXXSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08728699

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

4.530

Distribution Coefficient, logD

4.530

Water Solubility, LogSw

-4.69

Polar Surface Area

41.716

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D727-0368 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D727-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0368?
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What is the minimum amount of D727-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0368
  • 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 D727-0368 available by request