8018-8445 Screening compound: 6-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

8018-8445 Screening compound: 6-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
8018-8445 Screening compound: 6-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8445
6-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(2,4-dichlorophenyl)[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

8018-8445

Molecular Formula

C18H9Cl3N6S (C18 H9 Cl3 N6 S)

Compound Name

6-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

n/a

SMILES

Clc(cc1)ccc1-c1cc(-c(s2)nn3c2nnc3-c(ccc(Cl)c2)c2Cl)n[nH]1

InChI

InChI=1S/C18H9Cl3N6S/c19-10-3-1-9(2-4-10)14-8-15(23-22-14)17-26-27-16(24-25-18(27)28-17)12-6-5-11(20)7-13(12)21/h1-8H,(H,22,23)

InChI Key

DXKUEWVBBHVVOM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.73

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.791

Distribution Coefficient, logD

5.791

Water Solubility, LogSw

-6.40

Polar Surface Area

56.211

Acid Dissociation Constant (pKa)

6.56

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8018-8445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8445?
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What is the minimum amount of 8018-8445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8445
  • 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 8018-8445 available by request