1309-1084 Screening compound: N-{2,2,2-trichloro-1-[(3-chlorophenyl)amino]ethyl}hexanamide

1309-1084 Screening compound: N-{2,2,2-trichloro-1-[(3-chlorophenyl)amino]ethyl}hexanamide
1309-1084 Screening compound: N-{2,2,2-trichloro-1-[(3-chlorophenyl)amino]ethyl}hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-1084
N-{2,2,2-trichloro-1-[(3-chlorophenyl)amino]ethyl}hexanamide

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

1309-1084

Molecular Formula

C14H18Cl4N2O (C14 H18 Cl4 N2 O)

Compound Name

N-{2,2,2-trichloro-1-[(3-chlorophenyl)amino]ethyl}hexanamide

IUPAC name

N-{222-trichloro-1-[(3-chlorophenyl)amino]ethyl}hexanamide

SMILES

CCCCCC(NC(C(Cl)(Cl)Cl)Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C14H18Cl4N2O/c1-2-3-4-8-12(21)20-13(14(16,17)18)19-11-7-5-6-10(15)9-11/h5-7,9,13,19H,2-4,8H2,1H3,(H,20,21)/t13-/m1/s1

InChI Key

LJZBHMHSOICHHP-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD00411999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.12

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.159

Distribution Coefficient, logD

5.135

Water Solubility, LogSw

-5.37

Polar Surface Area

33.508

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

1309-1084 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 1309-1084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-1084?
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What is the minimum amount of 1309-1084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-1084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-1084
  • 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 1309-1084 available by request