1492-0111 Screening compound: (2-chlorophenyl)methyl N-[1-(benzylamino)-2,2,2-trichloroethyl]carbamate

1492-0111 Screening compound: (2-chlorophenyl)methyl N-[1-(benzylamino)-2,2,2-trichloroethyl]carbamate
1492-0111 Screening compound: (2-chlorophenyl)methyl N-[1-(benzylamino)-2,2,2-trichloroethyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1492-0111
(2-chlorophenyl)methyl N-[1-(benzylamino)-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

1492-0111

Molecular Formula

C17H16Cl4N2O2 (C17 H16 Cl4 N2 O2)

Compound Name

(2-chlorophenyl)methyl N-[1-(benzylamino)-2,2,2-trichloroethyl]carbamate

IUPAC name

(2-chlorophenyl)methyl N-[1-(benzylamino)-222-trichloroethyl]carbamate

SMILES

O=C(NC(C(Cl)(Cl)Cl)NCc1ccccc1)OCc(cccc1)c1Cl

InChI

InChI=1S/C17H16Cl4N2O2/c18-14-9-5-4-8-13(14)11-25-16(24)23-15(17(19,20)21)22-10-12-6-2-1-3-7-12/h1-9,15,22H,10-11H2,(H,23,24)/t15-/m0/s1

InChI Key

FVRVXUPKTDFHIC-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00268358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.14

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.641

Distribution Coefficient, logD

4.635

Water Solubility, LogSw

-4.68

Polar Surface Area

43.228

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 1492-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1492-0111?
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What is the minimum amount of 1492-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1492-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1492-0111
  • 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 1492-0111 available by request