1988-1595 Screening compound: N-(3-chloro-4-fluorophenyl)-2-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

1988-1595 Screening compound: N-(3-chloro-4-fluorophenyl)-2-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
1988-1595 Screening compound: N-(3-chloro-4-fluorophenyl)-2-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-1595
N-(3-chloro-4-fluorophenyl)-2-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]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

1988-1595

Molecular Formula

C20H16ClFN2O5S (C20 H16 ClFN2 O5 S)

Compound Name

N-(3-chloro-4-fluorophenyl)-2-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-[(5E)-5-[(34-dimethoxyphenyl)methylidene]-24-dioxo-13-thiazolidin-3-yl]acetamide

SMILES

COc(ccc(/C=C(\C(N1CC(Nc(cc2)cc(Cl)c2F)=O)=O)/SC1=O)c1)c1OC

InChI

InChI=1S/C20H16ClFN2O5S/c1-28-15-6-3-11(7-16(15)29-2)8-17-19(26)24(20(27)30-17)10-18(25)23-12-4-5-14(22)13(21)9-12/h3-9H,10H2,1-2H3,(H,23,25)

InChI Key

VWBDSUXDBIAXCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01462923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.993

Distribution Coefficient, logD

3.989

Water Solubility, LogSw

-4.52

Polar Surface Area

68.006

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

1988-1595 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 1988-1595 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1988-1595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-1595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-1595
  • 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 1988-1595 available by request