1501-1181 Screening compound: ethyl N-{1-[(4-bromophenyl)amino]-2,2,2-trichloroethyl}carbamate

1501-1181 Screening compound: ethyl N-{1-[(4-bromophenyl)amino]-2,2,2-trichloroethyl}carbamate
1501-1181 Screening compound: ethyl N-{1-[(4-bromophenyl)amino]-2,2,2-trichloroethyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1501-1181
ethyl N-{1-[(4-bromophenyl)amino]-2,2,2-trichloroethyl}carbamate

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

1501-1181

Molecular Formula

C11H12BrCl3N2O2 (C11 H12 BrCl3 N2 O2)

Compound Name

ethyl N-{1-[(4-bromophenyl)amino]-2,2,2-trichloroethyl}carbamate

IUPAC name

ethyl N-{1-[(4-bromophenyl)amino]-222-trichloroethyl}carbamate

SMILES

CCOC(NC(C(Cl)(Cl)Cl)Nc(cc1)ccc1Br)=O

InChI

InChI=1S/C11H12BrCl3N2O2/c1-2-19-10(18)17-9(11(13,14)15)16-8-5-3-7(12)4-6-8/h3-6,9,16H,2H2,1H3,(H,17,18)/t9-/m1/s1

InChI Key

NOAQCZBYVDSESO-SECBINFHSA-N

MDL Number (MFCD)

MFCD00547628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.526

Distribution Coefficient, logD

4.465

Water Solubility, LogSw

-4.31

Polar Surface Area

41.802

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 1501-1181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1501-1181?
Check Price and Availability of 1501-1181, 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 1501-1181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1501-1181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1501-1181
  • 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 1501-1181 available by request