3957-0462 Screening compound: 3-benzyl-2-[3-(3-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,3-thiazolidin-4-one

3957-0462 Screening compound: 3-benzyl-2-[3-(3-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,3-thiazolidin-4-one
3957-0462 Screening compound: 3-benzyl-2-[3-(3-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3957-0462
3-benzyl-2-[3-(3-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,3-thiazolidin-4-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

3957-0462

Molecular Formula

C25H20BrN3OS (C25 H20 BrN3 OS)

Compound Name

3-benzyl-2-[3-(3-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,3-thiazolidin-4-one

IUPAC name

3-benzyl-2-[3-(3-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-13-thiazolidin-4-one

SMILES

O=C1N(Cc2ccccc2)C(c2cn(-c3ccccc3)nc2-c2cccc(Br)c2)SC1

InChI

InChI=1S/C25H20BrN3OS/c26-20-11-7-10-19(14-20)24-22(16-29(27-24)21-12-5-2-6-13-21)25-28(23(30)17-31-25)15-18-8-3-1-4-9-18/h1-14,16,25H,15,17H2/t25-/m0/s1

InChI Key

DHFHQZIYRDUUDN-VWLOTQADSA-N

MDL Number (MFCD)

MFCD05033456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.727

Distribution Coefficient, logD

5.727

Water Solubility, LogSw

-5.81

Polar Surface Area

31.377

Acid Dissociation Constant (pKa)

17.37

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

3957-0462 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3957-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3957-0462?
Check Price and Availability of 3957-0462, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3957-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3957-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3957-0462
  • 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 3957-0462 available by request