1309-0985 Screening compound: 2-phenyl-N-{2,2,2-trichloro-1-[(naphthalen-1-yl)amino]ethyl}acetamide

1309-0985 Screening compound: 2-phenyl-N-{2,2,2-trichloro-1-[(naphthalen-1-yl)amino]ethyl}acetamide
1309-0985 Screening compound: 2-phenyl-N-{2,2,2-trichloro-1-[(naphthalen-1-yl)amino]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-0985
2-phenyl-N-{2,2,2-trichloro-1-[(naphthalen-1-yl)amino]ethyl}acetamide

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

1309-0985

Molecular Formula

C20H17Cl3N2O (C20 H17 Cl3 N2 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cc1ccccc1)NC(C(Cl)(Cl)Cl)Nc1cccc2ccccc12

InChI

InChI=1S/C20H17Cl3N2O/c21-20(22,23)19(25-18(26)13-14-7-2-1-3-8-14)24-17-12-6-10-15-9-4-5-11-16(15)17/h1-12,19,24H,13H2,(H,25,26)/t19-/m1/s1

InChI Key

INXGQZGQVLGBLJ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD00790434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.73

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.848

Distribution Coefficient, logD

4.741

Water Solubility, LogSw

-5.12

Polar Surface Area

32.267

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

1309-0985 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1309-0985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-0985?
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What is the minimum amount of 1309-0985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-0985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-0985
  • 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 1309-0985 available by request