3935-0572 Screening compound: 3-benzyl-2-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,3-thiazolidin-4-one

3935-0572 Screening compound: 3-benzyl-2-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,3-thiazolidin-4-one
3935-0572 Screening compound: 3-benzyl-2-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3935-0572
3-benzyl-2-[3-(3,4-dimethoxyphenyl)-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

3935-0572

Molecular Formula

C27H25N3O3S (C27 H25 N3 O3 S)

Compound Name

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

IUPAC name

3-benzyl-2-[3-(34-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-13-thiazolidin-4-one

SMILES

COc(ccc(-c(c(C(N1Cc2ccccc2)SCC1=O)c1)nn1-c1ccccc1)c1)c1OC

InChI

InChI=1S/C27H25N3O3S/c1-32-23-14-13-20(15-24(23)33-2)26-22(17-30(28-26)21-11-7-4-8-12-21)27-29(25(31)18-34-27)16-19-9-5-3-6-10-19/h3-15,17,27H,16,18H2,1-2H3/t27-/m0/s1

InChI Key

PMIXWUTXNLHBEE-MHZLTWQESA-N

MDL Number (MFCD)

MFCD04623033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.502

Distribution Coefficient, logD

4.502

Water Solubility, LogSw

-4.37

Polar Surface Area

46.638

Acid Dissociation Constant (pKa)

17.37

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

3935-0572 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3935-0572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3935-0572?
Check Price and Availability of 3935-0572, 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 3935-0572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3935-0572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3935-0572
  • 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 3935-0572 available by request