1501-0949 Screening compound: 2-phenyl-N-{2,2,2-trichloro-1-[(4-chlorophenyl)sulfanyl]ethyl}acetamide

1501-0949 Screening compound: 2-phenyl-N-{2,2,2-trichloro-1-[(4-chlorophenyl)sulfanyl]ethyl}acetamide
1501-0949 Screening compound: 2-phenyl-N-{2,2,2-trichloro-1-[(4-chlorophenyl)sulfanyl]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1501-0949
2-phenyl-N-{2,2,2-trichloro-1-[(4-chlorophenyl)sulfanyl]ethyl}acetamide

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

1501-0949

Molecular Formula

C16H13Cl4NOS (C16 H13 Cl4 NOS)

Compound Name

2-phenyl-N-{2,2,2-trichloro-1-[(4-chlorophenyl)sulfanyl]ethyl}acetamide

IUPAC name

2-phenyl-N-{222-trichloro-1-[(4-chlorophenyl)sulfanyl]ethyl}acetamide

SMILES

O=C(Cc1ccccc1)NC(C(Cl)(Cl)Cl)Sc(cc1)ccc1Cl

InChI

InChI=1S/C16H13Cl4NOS/c17-12-6-8-13(9-7-12)23-15(16(18,19)20)21-14(22)10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,21,22)/t15-/m0/s1

InChI Key

SCAVMFDCXLWEMA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00181077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.16

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.610

Distribution Coefficient, logD

5.532

Water Solubility, LogSw

-6.00

Polar Surface Area

23.343

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

-10.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 1501-0949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1501-0949?
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What is the minimum amount of 1501-0949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1501-0949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1501-0949
  • 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 1501-0949 available by request