0646-0004 Screening compound: 1-(4-chlorophenyl)-3-(dimethylamino)propan-1-one

0646-0004 Screening compound: 1-(4-chlorophenyl)-3-(dimethylamino)propan-1-one
0646-0004 Screening compound: 1-(4-chlorophenyl)-3-(dimethylamino)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0646-0004
1-(4-chlorophenyl)-3-(dimethylamino)propan-1-one

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

0646-0004

Molecular Formula

C11H14ClNO (C11 H14 ClNO)

Compound Name

1-(4-chlorophenyl)-3-(dimethylamino)propan-1-one

IUPAC name

1-(4-chlorophenyl)-3-(dimethylamino)propan-1-one

SMILES

CN(C)CCC(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C11H14ClNO/c1-13(2)8-7-11(14)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3

InChI Key

WUYKWNHDYQFCMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00460597

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

211.69

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.464

Distribution Coefficient, logD

1.790

Water Solubility, LogSw

-3.11

Polar Surface Area

17.351

Acid Dissociation Constant (pKa)

20.19

Base Dissociation Constant (pKb)

7.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

0646-0004 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Human Kinases Annotated Library (2415 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with 0646-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0646-0004?
Check Price and Availability of 0646-0004, 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 0646-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0646-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0646-0004
  • 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 0646-0004 available by request