3772-2859 Screening compound: 2,4-diethyl 5-(2-chloro-4-nitrobenzamido)-3-methylthiophene-2,4-dicarboxylate

3772-2859 Screening compound: 2,4-diethyl 5-(2-chloro-4-nitrobenzamido)-3-methylthiophene-2,4-dicarboxylate
3772-2859 Screening compound: 2,4-diethyl 5-(2-chloro-4-nitrobenzamido)-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-2859
2,4-diethyl 5-(2-chloro-4-nitrobenzamido)-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

3772-2859

Molecular Formula

C18H17ClN2O7S (C18 H17 ClN2 O7 S)

Compound Name

2,4-diethyl 5-(2-chloro-4-nitrobenzamido)-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-(2-chloro-4-nitrobenzamido)-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(c(ccc([N+]([O-])=O)c2)c2Cl)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C18H17ClN2O7S/c1-4-27-17(23)13-9(3)14(18(24)28-5-2)29-16(13)20-15(22)11-7-6-10(21(25)26)8-12(11)19/h6-8H,4-5H2,1-3H3,(H,20,22)

InChI Key

DMZIVBOKXGQXQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.86

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

4.083

Distribution Coefficient, logD

-0.484

Water Solubility, LogSw

-4.85

Polar Surface Area

98.013

Acid Dissociation Constant (pKa)

2.83

Base Dissociation Constant (pKb)

-10.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

3772-2859 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3772-2859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-2859?
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What is the minimum amount of 3772-2859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-2859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-2859
  • 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 3772-2859 available by request