6158-0305 Screening compound: methyl 3-({5-[(4-ethoxyphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate

6158-0305 Screening compound: methyl 3-({5-[(4-ethoxyphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate
6158-0305 Screening compound: methyl 3-({5-[(4-ethoxyphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6158-0305
methyl 3-({5-[(4-ethoxyphenyl)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

6158-0305

Molecular Formula

C20H20N2O5S (C20 H20 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(C(N1Cc2cc(C(OC)=O)ccc2)=O)SC1=O

InChI

InChI=1S/C20H20N2O5S/c1-3-27-16-9-7-15(8-10-16)21-17-18(23)22(20(25)28-17)12-13-5-4-6-14(11-13)19(24)26-2/h4-11,17,21H,3,12H2,1-2H3/t17-/m0/s1

InChI Key

CSPYFPKQIQGPCQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03131959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.858

Distribution Coefficient, logD

3.858

Water Solubility, LogSw

-4.04

Polar Surface Area

67.293

Acid Dissociation Constant (pKa)

15.72

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 6158-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6158-0305?
Check Price and Availability of 6158-0305, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6158-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6158-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6158-0305
  • 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 6158-0305 available by request