6672-0362 Screening compound: (5Z)-2-(furan-2-yl)-5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6672-0362 Screening compound: (5Z)-2-(furan-2-yl)-5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6672-0362 Screening compound: (5Z)-2-(furan-2-yl)-5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6672-0362
(5Z)-2-(furan-2-yl)-5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-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

6672-0362

Molecular Formula

C27H19N5O3S (C27 H19 N5 O3 S)

Compound Name

(5Z)-2-(furan-2-yl)-5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5Z)-2-(furan-2-yl)-5-{[3-(2-methyl-23-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

CC(C1)Oc(cc2)c1cc2-c(c(/C=C1\Sc2nc(-c3ccco3)nn2C1=O)c1)nn1-c1ccccc1

InChI

InChI=1S/C27H19N5O3S/c1-16-12-18-13-17(9-10-21(18)35-16)24-19(15-31(29-24)20-6-3-2-4-7-20)14-23-26(33)32-27(36-23)28-25(30-32)22-8-5-11-34-22/h2-11,13-16H,12H2,1H3/t16-/m1/s1

InChI Key

FVAGLDLGIGUJCZ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD04447344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.196

Distribution Coefficient, logD

5.196

Water Solubility, LogSw

-5.04

Polar Surface Area

67.809

Acid Dissociation Constant (pKa)

25.54

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

6672-0362 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 6672-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6672-0362?
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What is the minimum amount of 6672-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6672-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6672-0362
  • 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 6672-0362 available by request