2159-0796 Screening compound: 2,4-diethyl 5-(4-chloro-3-nitrobenzamido)-3-methylthiophene-2,4-dicarboxylate

2159-0796 Screening compound: 2,4-diethyl 5-(4-chloro-3-nitrobenzamido)-3-methylthiophene-2,4-dicarboxylate
2159-0796 Screening compound: 2,4-diethyl 5-(4-chloro-3-nitrobenzamido)-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-0796
2,4-diethyl 5-(4-chloro-3-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

2159-0796

Molecular Formula

C18H17ClN2O7S (C18 H17 ClN2 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(NC(c(cc2)cc([N+]([O-])=O)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)10-6-7-11(19)12(8-10)21(25)26/h6-8H,4-5H2,1-3H3,(H,20,22)

InChI Key

COCADQJDEICNGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00334794

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

3.823

Distribution Coefficient, logD

-1.711

Water Solubility, LogSw

-4.69

Polar Surface Area

97.712

Acid Dissociation Constant (pKa)

1.87

Base Dissociation Constant (pKb)

-11.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 2159-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-0796?
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What is the minimum amount of 2159-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-0796
  • 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 2159-0796 available by request