8018-2548 Screening compound: 3-(4-chlorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

8018-2548 Screening compound: 3-(4-chlorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
8018-2548 Screening compound: 3-(4-chlorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2548
3-(4-chlorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-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

8018-2548

Molecular Formula

C17H11ClN4O2S (C17 H11 ClN4 O2 S)

Compound Name

3-(4-chlorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

3-(4-chlorophenyl)-6-(23-dihydro-14-benzodioxin-2-yl)-[124]triazolo[34-b][134]thiadiazole

SMILES

Clc(cc1)ccc1-c1nnc2sc(C3Oc(cccc4)c4OC3)nn12

InChI

InChI=1S/C17H11ClN4O2S/c18-11-7-5-10(6-8-11)15-19-20-17-22(15)21-16(25-17)14-9-23-12-3-1-2-4-13(12)24-14/h1-8,14H,9H2/t14-/m0/s1

InChI Key

VENRNCGOKALNCT-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD06784286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.075

Distribution Coefficient, logD

4.075

Water Solubility, LogSw

-4.64

Polar Surface Area

49.159

Acid Dissociation Constant (pKa)

28.69

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

8018-2548 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-2548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2548?
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What is the minimum amount of 8018-2548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2548
  • 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 8018-2548 available by request