4341-3198 Screening compound: (5Z)-2-(4-chlorophenyl)-5-({1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

4341-3198 Screening compound: (5Z)-2-(4-chlorophenyl)-5-({1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
4341-3198 Screening compound: (5Z)-2-(4-chlorophenyl)-5-({1-phenyl-3-[4-(propan-2-yloxy)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 4341-3198
(5Z)-2-(4-chlorophenyl)-5-({1-phenyl-3-[4-(propan-2-yloxy)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

4341-3198

Molecular Formula

C29H22ClN5O2S (C29 H22 ClN5 O2 S)

Compound Name

(5Z)-2-(4-chlorophenyl)-5-({1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5Z)-2-(4-chlorophenyl)-5-({1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

CC(C)Oc(cc1)ccc1-c(c(/C=C1\Sc2nc(-c(cc3)ccc3Cl)nn2C1=O)c1)nn1-c1ccccc1

InChI

InChI=1S/C29H22ClN5O2S/c1-18(2)37-24-14-10-19(11-15-24)26-21(17-34(32-26)23-6-4-3-5-7-23)16-25-28(36)35-29(38-25)31-27(33-35)20-8-12-22(30)13-9-20/h3-18H,1-2H3

InChI Key

YYCGIUJKUDGLHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02992896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.04

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.949

Distribution Coefficient, logD

6.949

Water Solubility, LogSw

-6.45

Polar Surface Area

58.631

Acid Dissociation Constant (pKa)

28.56

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

References: we are preparing a list of scientific research reports with 4341-3198 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4341-3198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4341-3198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4341-3198
  • 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 4341-3198 available by request