8017-2601 Screening compound: 7-(2-chlorophenyl)-3-(2-fluorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one

8017-2601 Screening compound: 7-(2-chlorophenyl)-3-(2-fluorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one
8017-2601 Screening compound: 7-(2-chlorophenyl)-3-(2-fluorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2601
7-(2-chlorophenyl)-3-(2-fluorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one

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

8017-2601

Molecular Formula

C17H9ClFN3OS (C17 H9 ClFN3 OS)

Compound Name

7-(2-chlorophenyl)-3-(2-fluorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one

IUPAC name

7-(2-chlorophenyl)-3-(2-fluorophenyl)-5H-[124]triazolo[34-b][13]thiazin-5-one

SMILES

O=C(C=C(c(cccc1)c1Cl)S1)n2c1nnc2-c(cccc1)c1F

InChI

InChI=1S/C17H9ClFN3OS/c18-12-7-3-1-5-10(12)14-9-15(23)22-16(20-21-17(22)24-14)11-6-2-4-8-13(11)19/h1-9H

InChI Key

YCUXPUAQTSXGON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.679

Distribution Coefficient, logD

3.679

Water Solubility, LogSw

-4.27

Polar Surface Area

37.856

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8017-2601 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 8017-2601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2601?
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What is the minimum amount of 8017-2601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2601
  • 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 8017-2601 available by request