1501-0171 Screening compound: N-[1-(4-bromophenoxy)-2,2,2-trichloroethyl]-4-methoxybenzamide

1501-0171 Screening compound: N-[1-(4-bromophenoxy)-2,2,2-trichloroethyl]-4-methoxybenzamide
1501-0171 Screening compound: N-[1-(4-bromophenoxy)-2,2,2-trichloroethyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1501-0171
N-[1-(4-bromophenoxy)-2,2,2-trichloroethyl]-4-methoxybenzamide

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

1501-0171

Molecular Formula

C16H13BrCl3NO3 (C16 H13 BrCl3 NO3)

Compound Name

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

IUPAC name

N-[1-(4-bromophenoxy)-222-trichloroethyl]-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(NC(C(Cl)(Cl)Cl)Oc(cc1)ccc1Br)=O

InChI

InChI=1S/C16H13BrCl3NO3/c1-23-12-6-2-10(3-7-12)14(22)21-15(16(18,19)20)24-13-8-4-11(17)5-9-13/h2-9,15H,1H3,(H,21,22)/t15-/m0/s1

InChI Key

CVQFXHWUHKIJDU-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00790412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.257

Distribution Coefficient, logD

4.421

Water Solubility, LogSw

-5.96

Polar Surface Area

39.389

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

-10.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

1501-0171 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Frequent Hitters Library (7624 compounds)

Human Ion Channels Annotated Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1501-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1501-0171?
Check Price and Availability of 1501-0171, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1501-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1501-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1501-0171
  • 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 1501-0171 available by request