1501-0950 Screening compound: 4-bromo-N-{2,2,2-trichloro-1-[(4-chlorophenyl)sulfanyl]ethyl}benzamide

1501-0950 Screening compound: 4-bromo-N-{2,2,2-trichloro-1-[(4-chlorophenyl)sulfanyl]ethyl}benzamide
1501-0950 Screening compound: 4-bromo-N-{2,2,2-trichloro-1-[(4-chlorophenyl)sulfanyl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1501-0950
4-bromo-N-{2,2,2-trichloro-1-[(4-chlorophenyl)sulfanyl]ethyl}benzamide

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

1501-0950

Molecular Formula

C15H10BrCl4NOS (C15 H10 BrCl4 NOS)

Compound Name

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

IUPAC name

4-bromo-N-{222-trichloro-1-[(4-chlorophenyl)sulfanyl]ethyl}benzamide

SMILES

O=C(c(cc1)ccc1Br)NC(C(Cl)(Cl)Cl)Sc(cc1)ccc1Cl

InChI

InChI=1S/C15H10BrCl4NOS/c16-10-3-1-9(2-4-10)13(22)21-14(15(18,19)20)23-12-7-5-11(17)6-8-12/h1-8,14H,(H,21,22)/t14-/m0/s1

InChI Key

APLQHKFABMHWHP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00622517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.03

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.565

Distribution Coefficient, logD

5.417

Water Solubility, LogSw

-6.64

Polar Surface Area

23.557

Acid Dissociation Constant (pKa)

6.28

Base Dissociation Constant (pKb)

-12.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

1501-0950 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Human Ion Channels Annotated Library (353 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1501-0950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1501-0950?
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What is the minimum amount of 1501-0950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1501-0950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1501-0950
  • 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 1501-0950 available by request