1309-1251 Screening compound: ethyl 2-({2,2,2-trichloro-1-[(3-chlorophenyl)formamido]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

1309-1251 Screening compound: ethyl 2-({2,2,2-trichloro-1-[(3-chlorophenyl)formamido]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
1309-1251 Screening compound: ethyl 2-({2,2,2-trichloro-1-[(3-chlorophenyl)formamido]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-1251
ethyl 2-({2,2,2-trichloro-1-[(3-chlorophenyl)formamido]ethyl}amino)-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

1309-1251

Molecular Formula

C20H20Cl4N2O3S (C20 H20 Cl4 N2 O3 S)

Compound Name

ethyl 2-({2,2,2-trichloro-1-[(3-chlorophenyl)formamido]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-({222-trichloro-1-[(3-chlorophenyl)formamido]ethyl}amino)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(Cl)(Cl)Cl)NC(c2cccc(Cl)c2)=O)sc2c1CCCC2)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.946

Distribution Coefficient, logD

5.158

Water Solubility, LogSw

-6.07

Polar Surface Area

53.918

Acid Dissociation Constant (pKa)

6.69

Base Dissociation Constant (pKb)

-8.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 1309-1251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-1251?
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What is the minimum amount of 1309-1251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-1251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-1251
  • 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 1309-1251 available by request