3057-0974 Screening compound: 2,4-diethyl 3-methyl-5-(4-methyl-3-nitrobenzamido)thiophene-2,4-dicarboxylate

3057-0974 Screening compound: 2,4-diethyl 3-methyl-5-(4-methyl-3-nitrobenzamido)thiophene-2,4-dicarboxylate
3057-0974 Screening compound: 2,4-diethyl 3-methyl-5-(4-methyl-3-nitrobenzamido)thiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3057-0974
2,4-diethyl 3-methyl-5-(4-methyl-3-nitrobenzamido)thiophene-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

3057-0974

Molecular Formula

C19H20N2O7S (C19 H20 N2 O7 S)

Compound Name

2,4-diethyl 3-methyl-5-(4-methyl-3-nitrobenzamido)thiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 3-methyl-5-(4-methyl-3-nitrobenzamido)thiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(c2cc([N+]([O-])=O)c(C)cc2)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C19H20N2O7S/c1-5-27-18(23)14-11(4)15(19(24)28-6-2)29-17(14)20-16(22)12-8-7-10(3)13(9-12)21(25)26/h7-9H,5-6H2,1-4H3,(H,20,22)

InChI Key

MFSIPHZSVUCPFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02216275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.956

Distribution Coefficient, logD

-0.739

Water Solubility, LogSw

-4.31

Polar Surface Area

97.712

Acid Dissociation Constant (pKa)

2.71

Base Dissociation Constant (pKb)

-11.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 3057-0974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3057-0974?
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What is the minimum amount of 3057-0974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3057-0974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3057-0974
  • 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 3057-0974 available by request