D727-0181 Screening compound: 3-[(2-METHYL-1H-1,3-BENZIMIDAZOL-1-YL)METHYL]-6-(2-PYRIDYL)[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE

D727-0181 Screening compound: 3-[(2-METHYL-1H-1,3-BENZIMIDAZOL-1-YL)METHYL]-6-(2-PYRIDYL)[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE
D727-0181 Screening compound: 3-[(2-METHYL-1H-1,3-BENZIMIDAZOL-1-YL)METHYL]-6-(2-PYRIDYL)[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0181
3-[(2-METHYL-1H-1,3-BENZIMIDAZOL-1-YL)METHYL]-6-(2-PYRIDYL)[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

D727-0181

Molecular Formula

C17H13N7S (C17 H13 N7 S)

Compound Name

3-[(2-METHYL-1H-1,3-BENZIMIDAZOL-1-YL)METHYL]-6-(2-PYRIDYL)[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE

IUPAC name

n/a

SMILES

Cc1nc(cccc2)c2n1Cc1nnc2sc(-c3ncccc3)nn12

InChI

InChI=1S/C17H13N7S/c1-11-19-12-6-2-3-8-14(12)23(11)10-15-20-21-17-24(15)22-16(25-17)13-7-4-5-9-18-13/h2-9H,10H2,1H3

InChI Key

VWDLJSOXCXPLFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08728718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.056

Distribution Coefficient, logD

0.391

Water Solubility, LogSw

-1.81

Polar Surface Area

54.723

Acid Dissociation Constant (pKa)

20.38

Base Dissociation Constant (pKb)

9.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D727-0181 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D727-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0181?
Check Price and Availability of D727-0181, 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 D727-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0181
  • 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 D727-0181 available by request