2043-4746 Screening compound: ethyl 2-(2,4-dichlorobenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

2043-4746 Screening compound: ethyl 2-(2,4-dichlorobenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
2043-4746 Screening compound: ethyl 2-(2,4-dichlorobenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2043-4746
ethyl 2-(2,4-dichlorobenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-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

2043-4746

Molecular Formula

C19H19Cl2NO3S (C19 H19 Cl2 NO3 S)

Compound Name

ethyl 2-(2,4-dichlorobenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-(24-dichlorobenzamido)-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(ccc(Cl)c2)c2Cl)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C19H19Cl2NO3S/c1-2-25-19(24)16-13-6-4-3-5-7-15(13)26-18(16)22-17(23)12-9-8-11(20)10-14(12)21/h8-10H,2-7H2,1H3,(H,22,23)

InChI Key

GAIXKXQJDBMEAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01243592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.811

Distribution Coefficient, logD

0.297

Water Solubility, LogSw

-6.15

Polar Surface Area

44.129

Acid Dissociation Constant (pKa)

1.89

Base Dissociation Constant (pKb)

-7.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

2043-4746 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2043-4746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2043-4746?
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What is the minimum amount of 2043-4746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2043-4746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2043-4746
  • 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 2043-4746 available by request