7101-0219 Screening compound: 3-benzyl-6-[5-(2-chlorophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

7101-0219 Screening compound: 3-benzyl-6-[5-(2-chlorophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
7101-0219 Screening compound: 3-benzyl-6-[5-(2-chlorophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7101-0219
3-benzyl-6-[5-(2-chlorophenyl)furan-2-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

7101-0219

Molecular Formula

C20H13ClN4OS (C20 H13 ClN4 OS)

Compound Name

3-benzyl-6-[5-(2-chlorophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

3-benzyl-6-[5-(2-chlorophenyl)furan-2-yl]-[124]triazolo[34-b][134]thiadiazole

SMILES

Clc(cccc1)c1-c1ccc(-c(s2)nn3c2nnc3Cc2ccccc2)o1

InChI

InChI=1S/C20H13ClN4OS/c21-15-9-5-4-8-14(15)16-10-11-17(26-16)19-24-25-18(22-23-20(25)27-19)12-13-6-2-1-3-7-13/h1-11H,12H2

InChI Key

WCASASYLXGMVJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05827095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.87

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

4.825

Distribution Coefficient, logD

4.825

Water Solubility, LogSw

-4.98

Polar Surface Area

43.097

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

7101-0219 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7101-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7101-0219?
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What is the minimum amount of 7101-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7101-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7101-0219
  • 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 7101-0219 available by request