6158-0307 Screening compound: methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate

6158-0307 Screening compound: methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate
6158-0307 Screening compound: methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6158-0307
methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]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

6158-0307

Molecular Formula

C21H20N2O6S (C21 H20 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(C(N1Cc2cc(C(OC)=O)ccc2)=O)SC1=O)=O

InChI

InChI=1S/C21H20N2O6S/c1-3-29-20(26)14-7-9-16(10-8-14)22-17-18(24)23(21(27)30-17)12-13-5-4-6-15(11-13)19(25)28-2/h4-11,17,22H,3,12H2,1-2H3/t17-/m0/s1

InChI Key

PGUQILSKFPUCPA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03131961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.091

Distribution Coefficient, logD

4.091

Water Solubility, LogSw

-4.28

Polar Surface Area

80.923

Acid Dissociation Constant (pKa)

15.72

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 6158-0307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6158-0307?
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What is the minimum amount of 6158-0307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6158-0307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6158-0307
  • 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 6158-0307 available by request