4341-3296 Screening compound: 2-[(5Z)-5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate

4341-3296 Screening compound: 2-[(5Z)-5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate
4341-3296 Screening compound: 2-[(5Z)-5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4341-3296
2-[(5Z)-5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate

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

4341-3296

Molecular Formula

C33H29N5O4S (C33 H29 N5 O4 S)

Compound Name

2-[(5Z)-5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate

IUPAC name

2-[(5Z)-5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-6-oxo-5H6H-[124]triazolo[32-b][13]thiazol-2-yl]phenyl acetate

SMILES

CC(C)CCOc(cc1)ccc1-c(c(/C=C1\Sc2nc(-c(cccc3)c3OC(C)=O)nn2C1=O)c1)nn1-c1ccccc1

InChI

InChI=1S/C33H29N5O4S/c1-21(2)17-18-41-26-15-13-23(14-16-26)30-24(20-37(35-30)25-9-5-4-6-10-25)19-29-32(40)38-33(43-29)34-31(36-38)27-11-7-8-12-28(27)42-22(3)39/h4-16,19-21H,17-18H2,1-3H3

InChI Key

XHMFWJSGJJWIHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02989970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

591.69

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.697

Distribution Coefficient, logD

6.697

Water Solubility, LogSw

-5.61

Polar Surface Area

80.084

Acid Dissociation Constant (pKa)

21.81

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 4341-3296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4341-3296?
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What is the minimum amount of 4341-3296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4341-3296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4341-3296
  • 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 4341-3296 available by request