1503-0719 Screening compound: 2-[(1-butanamido-2,2,2-trichloroethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

1503-0719 Screening compound: 2-[(1-butanamido-2,2,2-trichloroethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
1503-0719 Screening compound: 2-[(1-butanamido-2,2,2-trichloroethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1503-0719
2-[(1-butanamido-2,2,2-trichloroethyl)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

1503-0719

Molecular Formula

C15H20Cl3N3O2S (C15 H20 Cl3 N3 O2 S)

Compound Name

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

IUPAC name

2-[(1-butanamido-222-trichloroethyl)amino]-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

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

InChI

InChI=1S/C15H20Cl3N3O2S/c1-2-5-10(22)20-14(15(16,17)18)21-13-11(12(19)23)8-6-3-4-7-9(8)24-13/h14,21H,2-7H2,1H3,(H2,19,23)(H,20,22)/t14-/m0/s1

InChI Key

RKQRZTYCMMVRIP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00749758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.586

Distribution Coefficient, logD

2.570

Water Solubility, LogSw

-3.36

Polar Surface Area

67.282

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with 1503-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1503-0719?
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What is the minimum amount of 1503-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1503-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1503-0719
  • 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 1503-0719 available by request