D727-0832 Screening compound: 4-(2-{3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-3,5-dimethyl-1-phenyl-1H-pyrazole

D727-0832 Screening compound: 4-(2-{3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-3,5-dimethyl-1-phenyl-1H-pyrazole
D727-0832 Screening compound: 4-(2-{3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-3,5-dimethyl-1-phenyl-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0832
4-(2-{3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-3,5-dimethyl-1-phenyl-1H-pyrazole

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

D727-0832

Molecular Formula

C24H24N6OS (C24 H24 N6 OS)

Compound Name

4-(2-{3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-3,5-dimethyl-1-phenyl-1H-pyrazole

IUPAC name

4-(2-{3-[(4-methoxyphenyl)methyl]-[124]triazolo[34-b][134]thiadiazol-6-yl}ethyl)-35-dimethyl-1-phenyl-1H-pyrazole

SMILES

Cc1c(CCc(s2)nn3c2nnc3Cc(cc2)ccc2OC)c(C)nn1-c1ccccc1

InChI

InChI=1S/C24H24N6OS/c1-16-21(17(2)29(27-16)19-7-5-4-6-8-19)13-14-23-28-30-22(25-26-24(30)32-23)15-18-9-11-20(31-3)12-10-18/h4-12H,13-15H2,1-3H3

InChI Key

HJBHHKHLXKLSNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09846518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.807

Distribution Coefficient, logD

3.807

Water Solubility, LogSw

-4.24

Polar Surface Area

57.155

Acid Dissociation Constant (pKa)

22.00

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D727-0832 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • 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 D727-0832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0832?
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What is the minimum amount of D727-0832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0832
  • 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 D727-0832 available by request