1491-0149 Screening compound: 4-bromo-N-[1-(4-bromophenoxy)-2,2,2-trichloroethyl]benzamide

1491-0149 Screening compound: 4-bromo-N-[1-(4-bromophenoxy)-2,2,2-trichloroethyl]benzamide
1491-0149 Screening compound: 4-bromo-N-[1-(4-bromophenoxy)-2,2,2-trichloroethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1491-0149
4-bromo-N-[1-(4-bromophenoxy)-2,2,2-trichloroethyl]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

1491-0149

Molecular Formula

C15H10Br2Cl3NO2 (C15 H10 Br2 Cl3 NO2)

Compound Name

4-bromo-N-[1-(4-bromophenoxy)-2,2,2-trichloroethyl]benzamide

IUPAC name

4-bromo-N-[1-(4-bromophenoxy)-222-trichloroethyl]benzamide

SMILES

O=C(c(cc1)ccc1Br)NC(C(Cl)(Cl)Cl)Oc(cc1)ccc1Br

InChI

InChI=1S/C15H10Br2Cl3NO2/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

ZVKIXNNDEXSEOW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00392145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.108

Distribution Coefficient, logD

4.094

Water Solubility, LogSw

-6.46

Polar Surface Area

31.845

Acid Dissociation Constant (pKa)

5.39

Base Dissociation Constant (pKb)

-10.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

1491-0149 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Human Ion Channels Annotated Library (353 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1491-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1491-0149?
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What is the minimum amount of 1491-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1491-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1491-0149
  • 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 1491-0149 available by request