8016-4680 Screening compound: 5-chloro-N~1~-[2-(dimethylamino)ethyl]-2-methoxybenzamide

8016-4680 Screening compound: 5-chloro-N~1~-[2-(dimethylamino)ethyl]-2-methoxybenzamide
8016-4680 Screening compound: 5-chloro-N~1~-[2-(dimethylamino)ethyl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4680
5-chloro-N~1~-[2-(dimethylamino)ethyl]-2-methoxybenzamide

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

8016-4680

Molecular Formula

C12H17ClN2O2 (C12 H17 ClN2 O2)

Compound Name

5-chloro-N~1~-[2-(dimethylamino)ethyl]-2-methoxybenzamide

IUPAC name

5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide

SMILES

CN(C)CCNC(c(cc(cc1)Cl)c1OC)=O

InChI

InChI=1S/C12H17ClN2O2/c1-15(2)7-6-14-12(16)10-8-9(13)4-5-11(10)17-3/h4-5,8H,6-7H2,1-3H3,(H,14,16)

InChI Key

VOVHUQIKTIZQTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04213983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.73

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.984

Distribution Coefficient, logD

1.145

Water Solubility, LogSw

-3.17

Polar Surface Area

36.261

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

8016-4680 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8016-4680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4680?
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What is the minimum amount of 8016-4680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4680
  • 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 8016-4680 available by request