4873-0062 Screening compound: methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate

4873-0062 Screening compound: methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate
4873-0062 Screening compound: methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4873-0062
methyl 4-{[3-(3-methylphenyl)-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

4873-0062

Molecular Formula

C18H16N2O4S (C18 H16 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(N(C(C(Nc(cc2)ccc2C(OC)=O)S2)=O)C2=O)c1

InChI

InChI=1S/C18H16N2O4S/c1-11-4-3-5-14(10-11)20-16(21)15(25-18(20)23)19-13-8-6-12(7-9-13)17(22)24-2/h3-10,15,19H,1-2H3/t15-/m0/s1

InChI Key

LMCZBCOVYMQGMB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00817893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.618

Distribution Coefficient, logD

3.618

Water Solubility, LogSw

-3.86

Polar Surface Area

59.558

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

-5.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 4873-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4873-0062?
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What is the minimum amount of 4873-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4873-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4873-0062
  • 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 4873-0062 available by request