7101-0224 Screening compound: 3-benzyl-6-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

7101-0224 Screening compound: 3-benzyl-6-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
7101-0224 Screening compound: 3-benzyl-6-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7101-0224
3-benzyl-6-[5-(4-chlorophenyl)-2-methylfuran-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

7101-0224

Molecular Formula

C21H15ClN4OS (C21 H15 ClN4 OS)

Compound Name

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

IUPAC name

3-benzyl-6-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-[124]triazolo[34-b][134]thiadiazole

SMILES

Cc(oc(-c(cc1)ccc1Cl)c1)c1-c(s1)nn2c1nnc2Cc1ccccc1

InChI

InChI=1S/C21H15ClN4OS/c1-13-17(12-18(27-13)15-7-9-16(22)10-8-15)20-25-26-19(23-24-21(26)28-20)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3

InChI Key

ANCAEYQQEFCRPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05827101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.9

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

5.167

Distribution Coefficient, logD

5.167

Water Solubility, LogSw

-5.50

Polar Surface Area

42.752

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

7101-0224 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 7101-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7101-0224?
Check Price and Availability of 7101-0224, 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 7101-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7101-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7101-0224
  • 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 7101-0224 available by request