1503-0721 Screening compound: 2-[(2,2,2-trichloro-1-acetamidoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

1503-0721 Screening compound: 2-[(2,2,2-trichloro-1-acetamidoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
1503-0721 Screening compound: 2-[(2,2,2-trichloro-1-acetamidoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1503-0721
2-[(2,2,2-trichloro-1-acetamidoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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

1503-0721

Molecular Formula

C13H16Cl3N3O2S (C13 H16 Cl3 N3 O2 S)

Compound Name

2-[(2,2,2-trichloro-1-acetamidoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-[(222-trichloro-1-acetamidoethyl)amino]-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(NC(C(Cl)(Cl)Cl)Nc1c(C(N)=O)c(CCCC2)c2s1)=O

InChI

InChI=1S/C13H16Cl3N3O2S/c1-6(20)18-12(13(14,15)16)19-11-9(10(17)21)7-4-2-3-5-8(7)22-11/h12,19H,2-5H2,1H3,(H2,17,21)(H,18,20)/t12-/m0/s1

InChI Key

PSEFISGMWKEZPY-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00749759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.562

Distribution Coefficient, logD

1.556

Water Solubility, LogSw

-2.59

Polar Surface Area

67.394

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with 1503-0721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1503-0721?
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What is the minimum amount of 1503-0721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1503-0721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1503-0721
  • 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 1503-0721 available by request