1895-0056 Screening compound: 2,4-diethyl 5-({[(4-methoxyphenyl)formamido]methanethioyl}amino)-3-methylthiophene-2,4-dicarboxylate

1895-0056 Screening compound: 2,4-diethyl 5-({[(4-methoxyphenyl)formamido]methanethioyl}amino)-3-methylthiophene-2,4-dicarboxylate
1895-0056 Screening compound: 2,4-diethyl 5-({[(4-methoxyphenyl)formamido]methanethioyl}amino)-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1895-0056
2,4-diethyl 5-({[(4-methoxyphenyl)formamido]methanethioyl}amino)-3-methylthiophene-2,4-dicarboxylate

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

1895-0056

Molecular Formula

C20H22N2O6S2 (C20 H22 N2 O6 S2)

Compound Name

2,4-diethyl 5-({[(4-methoxyphenyl)formamido]methanethioyl}amino)-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-({[(4-methoxyphenyl)formamido]methanethioyl}amino)-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(NC(c(cc2)ccc2OC)=O)=S)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C20H22N2O6S2/c1-5-27-18(24)14-11(3)15(19(25)28-6-2)30-17(14)22-20(29)21-16(23)12-7-9-13(26-4)10-8-12/h7-10H,5-6H2,1-4H3,(H2,21,22,23,29)

InChI Key

ARDAVCFOWDVPNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01116821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.037

Distribution Coefficient, logD

2.399

Water Solubility, LogSw

-4.30

Polar Surface Area

82.085

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-10.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 1895-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1895-0056?
Check Price and Availability of 1895-0056, 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 1895-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1895-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1895-0056
  • 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 1895-0056 available by request