4873-0223 Screening compound: ethyl 4-({3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoate

4873-0223 Screening compound: ethyl 4-({3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoate
4873-0223 Screening compound: ethyl 4-({3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4873-0223
ethyl 4-({3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoate

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

4873-0223

Molecular Formula

C20H20N2O4S (C20 H20 N2 O4 S)

Compound Name

ethyl 4-({3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoate

IUPAC name

ethyl 4-({3-[(4-methylphenyl)methyl]-24-dioxo-13-thiazolidin-5-yl}amino)benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(N1Cc2ccc(C)cc2)=O)SC1=O)=O

InChI

InChI=1S/C20H20N2O4S/c1-3-26-19(24)15-8-10-16(11-9-15)21-17-18(23)22(20(25)27-17)12-14-6-4-13(2)5-7-14/h4-11,17,21H,3,12H2,1-2H3/t17-/m0/s1

InChI Key

QWVULZOJSMOAHZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03085538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.529

Distribution Coefficient, logD

4.529

Water Solubility, LogSw

-4.12

Polar Surface Area

59.749

Acid Dissociation Constant (pKa)

15.72

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4873-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4873-0223?
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What is the minimum amount of 4873-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4873-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4873-0223
  • 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 4873-0223 available by request