0687-0158 Screening compound: 4-nitro-N-[2,2,2-trichloro-1-(phenylamino)ethyl]benzamide

0687-0158 Screening compound: 4-nitro-N-[2,2,2-trichloro-1-(phenylamino)ethyl]benzamide
0687-0158 Screening compound: 4-nitro-N-[2,2,2-trichloro-1-(phenylamino)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0687-0158
4-nitro-N-[2,2,2-trichloro-1-(phenylamino)ethyl]benzamide

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

0687-0158

Molecular Formula

C15H12Cl3N3O3 (C15 H12 Cl3 N3 O3)

Compound Name

4-nitro-N-[2,2,2-trichloro-1-(phenylamino)ethyl]benzamide

IUPAC name

4-nitro-N-[222-trichloro-1-(phenylamino)ethyl]benzamide

SMILES

[O-][N+](c(cc1)ccc1C(NC(C(Cl)(Cl)Cl)Nc1ccccc1)=O)=O

InChI

InChI=1S/C15H12Cl3N3O3/c16-15(17,18)14(19-11-4-2-1-3-5-11)20-13(22)10-6-8-12(9-7-10)21(23)24/h1-9,14,19H,(H,20,22)/t14-/m1/s1

InChI Key

FEURUIGBQJUPJK-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00382489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.925

Distribution Coefficient, logD

3.606

Water Solubility, LogSw

-4.47

Polar Surface Area

66.831

Acid Dissociation Constant (pKa)

7.37

Base Dissociation Constant (pKb)

-3.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

0687-0158 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0687-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0687-0158?
Check Price and Availability of 0687-0158, 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 0687-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0687-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0687-0158
  • 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 0687-0158 available by request