1309-0801 Screening compound: 3-chloro-N-{2,2,2-trichloro-1-[(naphthalen-1-yl)amino]ethyl}benzamide

1309-0801 Screening compound: 3-chloro-N-{2,2,2-trichloro-1-[(naphthalen-1-yl)amino]ethyl}benzamide
1309-0801 Screening compound: 3-chloro-N-{2,2,2-trichloro-1-[(naphthalen-1-yl)amino]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-0801
3-chloro-N-{2,2,2-trichloro-1-[(naphthalen-1-yl)amino]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

1309-0801

Molecular Formula

C19H14Cl4N2O (C19 H14 Cl4 N2 O)

Compound Name

3-chloro-N-{2,2,2-trichloro-1-[(naphthalen-1-yl)amino]ethyl}benzamide

IUPAC name

3-chloro-N-{222-trichloro-1-[(naphthalen-1-yl)amino]ethyl}benzamide

SMILES

O=C(c1cccc(Cl)c1)NC(C(Cl)(Cl)Cl)Nc1cccc2ccccc12

InChI

InChI=1S/C19H14Cl4N2O/c20-14-8-3-7-13(11-14)17(26)25-18(19(21,22)23)24-16-10-4-6-12-5-1-2-9-15(12)16/h1-11,18,24H,(H,25,26)/t18-/m1/s1

InChI Key

KRBZQXNCVKMQGA-GOSISDBHSA-N

MDL Number (MFCD)

MFCD00628311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.14

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

5.620

Distribution Coefficient, logD

4.365

Water Solubility, LogSw

-6.47

Polar Surface Area

32.480

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

-4.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 1309-0801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-0801?
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What is the minimum amount of 1309-0801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-0801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-0801
  • 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 1309-0801 available by request