2783-1000 Screening compound: ethyl 2-(4-methoxy-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

2783-1000 Screening compound: ethyl 2-(4-methoxy-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
2783-1000 Screening compound: ethyl 2-(4-methoxy-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2783-1000
ethyl 2-(4-methoxy-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

2783-1000

Molecular Formula

C19H20N2O6S (C19 H20 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(NC(c(cc2)cc([N+]([O-])=O)c2OC)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C19H20N2O6S/c1-3-27-19(23)16-12-6-4-5-7-15(12)28-18(16)20-17(22)11-8-9-14(26-2)13(10-11)21(24)25/h8-10H,3-7H2,1-2H3,(H,20,22)

InChI Key

HHSDIMUWWWBTHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00753803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.638

Distribution Coefficient, logD

-0.831

Water Solubility, LogSw

-4.32

Polar Surface Area

84.509

Acid Dissociation Constant (pKa)

2.93

Base Dissociation Constant (pKb)

-7.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 2783-1000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2783-1000?
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What is the minimum amount of 2783-1000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2783-1000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2783-1000
  • 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 2783-1000 available by request