3347-3616 Screening compound: 5-(4-chlorophenyl)-2-phenyl-5H,6H,7H-[1,2,4]triazolo[3,2-b][1,3]thiazin-7-one

3347-3616 Screening compound: 5-(4-chlorophenyl)-2-phenyl-5H,6H,7H-[1,2,4]triazolo[3,2-b][1,3]thiazin-7-one
3347-3616 Screening compound: 5-(4-chlorophenyl)-2-phenyl-5H,6H,7H-[1,2,4]triazolo[3,2-b][1,3]thiazin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3347-3616
5-(4-chlorophenyl)-2-phenyl-5H,6H,7H-[1,2,4]triazolo[3,2-b][1,3]thiazin-7-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

3347-3616

Molecular Formula

C17H12ClN3OS (C17 H12 ClN3 OS)

Compound Name

5-(4-chlorophenyl)-2-phenyl-5H,6H,7H-[1,2,4]triazolo[3,2-b][1,3]thiazin-7-one

IUPAC name

5-(4-chlorophenyl)-2-phenyl-5H6H7H-[124]triazolo[32-b][13]thiazin-7-one

SMILES

O=C(C1)n2nc(-c3ccccc3)nc2SC1c(cc1)ccc1Cl

InChI

InChI=1S/C17H12ClN3OS/c18-13-8-6-11(7-9-13)14-10-15(22)21-17(23-14)19-16(20-21)12-4-2-1-3-5-12/h1-9,14H,10H2/t14-/m0/s1

InChI Key

WRXONHLFILKZQE-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02923888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.82

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

4.500

Distribution Coefficient, logD

4.500

Water Solubility, LogSw

-5.10

Polar Surface Area

37.108

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

3347-3616 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3347-3616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3347-3616?
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What is the minimum amount of 3347-3616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3347-3616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3347-3616
  • 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 3347-3616 available by request