6258-1262 Screening compound: 2-[(5E)-5-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-ethylphenyl)acetamide

6258-1262 Screening compound: 2-[(5E)-5-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-ethylphenyl)acetamide
6258-1262 Screening compound: 2-[(5E)-5-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6258-1262
2-[(5E)-5-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-ethylphenyl)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

6258-1262

Molecular Formula

C23H22N4O4S (C23 H22 N4 O4 S)

Compound Name

2-[(5E)-5-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-ethylphenyl)acetamide

IUPAC name

2-[(5E)-5-[(13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)methylidene]-24-dioxo-13-thiazolidin-3-yl]-N-(4-ethylphenyl)acetamide

SMILES

CCc(cc1)ccc1NC(CN(C(/C(/S1)=C\c(cc2)cc(N3C)c2N(C)C3=O)=O)C1=O)=O

InChI

InChI=1S/C23H22N4O4S/c1-4-14-5-8-16(9-6-14)24-20(28)13-27-21(29)19(32-23(27)31)12-15-7-10-17-18(11-15)26(3)22(30)25(17)2/h5-12H,4,13H2,1-3H3,(H,24,28)

InChI Key

GMYCOXUBAWTJHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03864889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.970

Distribution Coefficient, logD

3.970

Water Solubility, LogSw

-3.96

Polar Surface Area

70.430

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 6258-1262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6258-1262?
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What is the minimum amount of 6258-1262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6258-1262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6258-1262
  • 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 6258-1262 available by request