0687-0683 Screening compound: 2-methyl-N-{2,2,2-trichloro-1-[(naphthalen-1-yl)amino]ethyl}propanamide

0687-0683 Screening compound: 2-methyl-N-{2,2,2-trichloro-1-[(naphthalen-1-yl)amino]ethyl}propanamide
0687-0683 Screening compound: 2-methyl-N-{2,2,2-trichloro-1-[(naphthalen-1-yl)amino]ethyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0687-0683
2-methyl-N-{2,2,2-trichloro-1-[(naphthalen-1-yl)amino]ethyl}propanamide

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

0687-0683

Molecular Formula

C16H17Cl3N2O (C16 H17 Cl3 N2 O)

Compound Name

2-methyl-N-{2,2,2-trichloro-1-[(naphthalen-1-yl)amino]ethyl}propanamide

IUPAC name

2-methyl-N-{222-trichloro-1-[(naphthalen-1-yl)amino]ethyl}propanamide

SMILES

CC(C)C(NC(C(Cl)(Cl)Cl)Nc1cccc2ccccc12)=O

InChI

InChI=1S/C16H17Cl3N2O/c1-10(2)14(22)21-15(16(17,18)19)20-13-9-5-7-11-6-3-4-8-12(11)13/h3-10,15,20H,1-2H3,(H,21,22)/t15-/m1/s1

InChI Key

PBNHHNSWAGXQDK-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.68

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.448

Distribution Coefficient, logD

4.399

Water Solubility, LogSw

-4.45

Polar Surface Area

32.752

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with 0687-0683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0687-0683?
Check Price and Availability of 0687-0683, 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 0687-0683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0687-0683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0687-0683
  • 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 0687-0683 available by request