D344-0301 Screening compound: N-[3-(1H-1,3-benzodiazol-2-yl)-4-chlorophenyl]-2,2-dimethylpropanamide

D344-0301 Screening compound: N-[3-(1H-1,3-benzodiazol-2-yl)-4-chlorophenyl]-2,2-dimethylpropanamide
D344-0301 Screening compound: N-[3-(1H-1,3-benzodiazol-2-yl)-4-chlorophenyl]-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D344-0301
N-[3-(1H-1,3-benzodiazol-2-yl)-4-chlorophenyl]-2,2-dimethylpropanamide

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

D344-0301

Molecular Formula

C18H18ClN3O (C18 H18 ClN3 O)

Compound Name

N-[3-(1H-1,3-benzodiazol-2-yl)-4-chlorophenyl]-2,2-dimethylpropanamide

IUPAC name

N-[3-(1H-13-benzodiazol-2-yl)-4-chlorophenyl]-22-dimethylpropanamide

SMILES

CC(C)(C)C(Nc(cc1)cc(-c2nc(cccc3)c3[nH]2)c1Cl)=O

InChI

InChI=1S/C18H18ClN3O/c1-18(2,3)17(23)20-11-8-9-13(19)12(10-11)16-21-14-6-4-5-7-15(14)22-16/h4-10H,1-3H3,(H,20,23)(H,21,22)

InChI Key

NYRWKFGSUHFNHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08110654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.81

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.437

Distribution Coefficient, logD

4.437

Water Solubility, LogSw

-4.64

Polar Surface Area

42.621

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D344-0301 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D344-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D344-0301?
Check Price and Availability of D344-0301, 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 D344-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D344-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D344-0301
  • 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 D344-0301 available by request