6258-1193 Screening compound: 2-{2,4-dioxo-5-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-1,3-thiazolidin-3-yl}-N-(4-fluorophenyl)acetamide

6258-1193 Screening compound: 2-{2,4-dioxo-5-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-1,3-thiazolidin-3-yl}-N-(4-fluorophenyl)acetamide
6258-1193 Screening compound: 2-{2,4-dioxo-5-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-1,3-thiazolidin-3-yl}-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6258-1193
2-{2,4-dioxo-5-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-1,3-thiazolidin-3-yl}-N-(4-fluorophenyl)acetamide

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

6258-1193

Molecular Formula

C19H12FN3O4S (C19 H12 FN3 O4 S)

Compound Name

2-{2,4-dioxo-5-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-1,3-thiazolidin-3-yl}-N-(4-fluorophenyl)acetamide

IUPAC name

2-{24-dioxo-5-[(3Z)-2-oxo-23-dihydro-1H-indol-3-ylidene]-13-thiazolidin-3-yl}-N-(4-fluorophenyl)acetamide

SMILES

O=C(CN(C(/C(/S1)=C(\c(cccc2)c2N2)/C2=O)=O)C1=O)Nc(cc1)ccc1F

InChI

InChI=1S/C19H12FN3O4S/c20-10-5-7-11(8-6-10)21-14(24)9-23-18(26)16(28-19(23)27)15-12-3-1-2-4-13(12)22-17(15)25/h1-8H,9H2,(H,21,24)(H,22,25)

InChI Key

HWFDTYIVRIXZNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04277798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.619

Distribution Coefficient, logD

2.619

Water Solubility, LogSw

-3.43

Polar Surface Area

77.988

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

6258-1193 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 6258-1193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6258-1193?
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What is the minimum amount of 6258-1193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6258-1193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6258-1193
  • 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 6258-1193 available by request