4823-0987 Screening compound: (5Z)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-3-[2-(4-fluorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione

4823-0987 Screening compound: (5Z)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-3-[2-(4-fluorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione
4823-0987 Screening compound: (5Z)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-3-[2-(4-fluorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4823-0987
(5Z)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-3-[2-(4-fluorophenoxy)ethyl]-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

4823-0987

Molecular Formula

C23H20FN3O3S (C23 H20 FN3 O3 S)

Compound Name

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

IUPAC name

(5Z)-5-{[25-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-3-[2-(4-fluorophenoxy)ethyl]-13-thiazolidine-24-dione

SMILES

Cc1cc(/C=C(/C(N2CCOc(cc3)ccc3F)=O)\SC2=O)c(C)n1-c1cnccc1

InChI

InChI=1S/C23H20FN3O3S/c1-15-12-17(16(2)27(15)19-4-3-9-25-14-19)13-21-22(28)26(23(29)31-21)10-11-30-20-7-5-18(24)6-8-20/h3-9,12-14H,10-11H2,1-2H3

InChI Key

JUYFQOTZHUMDJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03271161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.167

Distribution Coefficient, logD

4.166

Water Solubility, LogSw

-3.96

Polar Surface Area

49.174

Acid Dissociation Constant (pKa)

28.29

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

4823-0987 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 4823-0987 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4823-0987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4823-0987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4823-0987
  • 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 4823-0987 available by request