1140-0269 Screening compound: ethyl 2-(4-methyl-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

1140-0269 Screening compound: ethyl 2-(4-methyl-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
1140-0269 Screening compound: ethyl 2-(4-methyl-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1140-0269
ethyl 2-(4-methyl-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

1140-0269

Molecular Formula

C19H20N2O5S (C19 H20 N2 O5 S)

Compound Name

ethyl 2-(4-methyl-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-(4-methyl-3-nitrobenzamido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2cc([N+]([O-])=O)c(C)cc2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C19H20N2O5S/c1-3-26-19(23)16-13-6-4-5-7-15(13)27-18(16)20-17(22)12-9-8-11(2)14(10-12)21(24)25/h8-10H,3-7H2,1-2H3,(H,20,22)

InChI Key

IUFBGDYJOOYKMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00469235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.488

Distribution Coefficient, logD

-0.385

Water Solubility, LogSw

-4.56

Polar Surface Area

76.879

Acid Dissociation Constant (pKa)

2.53

Base Dissociation Constant (pKb)

-8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 1140-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1140-0269?
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What is the minimum amount of 1140-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1140-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1140-0269
  • 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 1140-0269 available by request