K781-0105 Screening compound: ethyl 4-{[2-(4-chlorophenyl)ethyl]amino}-3-nitrobenzoate

K781-0105 Screening compound: ethyl 4-{[2-(4-chlorophenyl)ethyl]amino}-3-nitrobenzoate
K781-0105 Screening compound: ethyl 4-{[2-(4-chlorophenyl)ethyl]amino}-3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-0105
ethyl 4-{[2-(4-chlorophenyl)ethyl]amino}-3-nitrobenzoate

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

K781-0105

Molecular Formula

C17H17ClN2O4 (C17 H17 ClN2 O4)

Compound Name

ethyl 4-{[2-(4-chlorophenyl)ethyl]amino}-3-nitrobenzoate

IUPAC name

ethyl 4-{[2-(4-chlorophenyl)ethyl]amino}-3-nitrobenzoate

SMILES

CCOC(c(cc1)cc([N+]([O-])=O)c1NCCc(cc1)ccc1Cl)=O

InChI

InChI=1S/C17H17ClN2O4/c1-2-24-17(21)13-5-8-15(16(11-13)20(22)23)19-10-9-12-3-6-14(18)7-4-12/h3-8,11,19H,2,9-10H2,1H3

InChI Key

CVRISMFOPVFIDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.680

Distribution Coefficient, logD

4.680

Water Solubility, LogSw

-4.87

Polar Surface Area

63.451

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with K781-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-0105?
Check Price and Availability of K781-0105, 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 K781-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-0105
  • 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 K781-0105 available by request