3269-0126 Screening compound: (5Z)-5-[(1-{[1,1'-biphenyl]-4-yl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione

3269-0126 Screening compound: (5Z)-5-[(1-{[1,1'-biphenyl]-4-yl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
3269-0126 Screening compound: (5Z)-5-[(1-{[1,1'-biphenyl]-4-yl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3269-0126
(5Z)-5-[(1-{[1,1'-biphenyl]-4-yl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione

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

3269-0126

Molecular Formula

C22H18N2O2S (C22 H18 N2 O2 S)

Compound Name

(5Z)-5-[(1-{[1,1'-biphenyl]-4-yl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione

IUPAC name

(5Z)-5-[(1-{[11'-biphenyl]-4-yl}-25-dimethyl-1H-pyrrol-3-yl)methylidene]-13-thiazolidine-24-dione

SMILES

Cc1cc(/C=C(/C(N2)=O)\SC2=O)c(C)n1-c(cc1)ccc1-c1ccccc1

InChI

InChI=1S/C22H18N2O2S/c1-14-12-18(13-20-21(25)23-22(26)27-20)15(2)24(14)19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,25,26)

InChI Key

FLXJSXUCSQKTMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01126153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.168

Distribution Coefficient, logD

4.161

Water Solubility, LogSw

-4.38

Polar Surface Area

40.301

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3269-0126 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 3269-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3269-0126?
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What is the minimum amount of 3269-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3269-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3269-0126
  • 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 3269-0126 available by request