D731-0609 Screening compound: 3-(4-PYRIDYL)-6-(4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-3-YL)[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE

D731-0609 Screening compound: 3-(4-PYRIDYL)-6-(4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-3-YL)[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE
D731-0609 Screening compound: 3-(4-PYRIDYL)-6-(4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-3-YL)[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0609
3-(4-PYRIDYL)-6-(4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-3-YL)[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

D731-0609

Molecular Formula

C16H13N5S2 (C16 H13 N5 S2)

Compound Name

3-(4-PYRIDYL)-6-(4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-3-YL)[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE

IUPAC name

n/a

SMILES

C(CC1)Cc2c1scc2-c(s1)nn2c1nnc2-c1ccncc1

InChI

InChI=1S/C16H13N5S2/c1-2-4-13-11(3-1)12(9-22-13)15-20-21-14(18-19-16(21)23-15)10-5-7-17-8-6-10/h5-9H,1-4H2

InChI Key

JTQBRSVBTAILLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06438929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.411

Distribution Coefficient, logD

3.411

Water Solubility, LogSw

-3.82

Polar Surface Area

44.089

Acid Dissociation Constant (pKa)

25.90

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D731-0609 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D731-0609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0609?
Check Price and Availability of D731-0609, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D731-0609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0609
  • 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 D731-0609 available by request