1501-0245 Screening compound: N-[1-(4-bromophenoxy)-2,2,2-trichloroethyl]-2-methylbenzamide

1501-0245 Screening compound: N-[1-(4-bromophenoxy)-2,2,2-trichloroethyl]-2-methylbenzamide
1501-0245 Screening compound: N-[1-(4-bromophenoxy)-2,2,2-trichloroethyl]-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1501-0245
N-[1-(4-bromophenoxy)-2,2,2-trichloroethyl]-2-methylbenzamide

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

1501-0245

Molecular Formula

C16H13BrCl3NO2 (C16 H13 BrCl3 NO2)

Compound Name

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

IUPAC name

N-[1-(4-bromophenoxy)-222-trichloroethyl]-2-methylbenzamide

SMILES

Cc(cccc1)c1C(NC(C(Cl)(Cl)Cl)Oc(cc1)ccc1Br)=O

InChI

InChI=1S/C16H13BrCl3NO2/c1-10-4-2-3-5-13(10)14(22)21-15(16(18,19)20)23-12-8-6-11(17)7-9-12/h2-9,15H,1H3,(H,21,22)/t15-/m0/s1

InChI Key

VBMAQNCPKARRBN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00628039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.55

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

5.802

Distribution Coefficient, logD

4.182

Water Solubility, LogSw

-5.95

Polar Surface Area

31.845

Acid Dissociation Constant (pKa)

5.79

Base Dissociation Constant (pKb)

-9.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 1501-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1501-0245?
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What is the minimum amount of 1501-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1501-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1501-0245
  • 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 1501-0245 available by request