1245-0589 Screening compound: 2-chloro-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide

1245-0589 Screening compound: 2-chloro-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide
1245-0589 Screening compound: 2-chloro-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1245-0589
2-chloro-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)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

1245-0589

Molecular Formula

C13H15ClN2O (C13 H15 ClN2 O)

Compound Name

2-chloro-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide

IUPAC name

2-chloro-N-(2-cyanoethyl)-N-(34-dimethylphenyl)acetamide

SMILES

Cc(cc1)c(C)cc1N(CCC#N)C(CCl)=O

InChI

InChI=1S/C13H15ClN2O/c1-10-4-5-12(8-11(10)2)16(7-3-6-15)13(17)9-14/h4-5,8H,3,7,9H2,1-2H3

InChI Key

QJDWWNYLGUJMCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00700886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.73

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.456

Distribution Coefficient, logD

2.456

Water Solubility, LogSw

-2.60

Polar Surface Area

33.075

Acid Dissociation Constant (pKa)

20.39

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

1245-0589 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

KRAS-Targeted Library (16000 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Agro:
  • Agro
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1245-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1245-0589?
Check Price and Availability of 1245-0589, 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 1245-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1245-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1245-0589
  • 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 1245-0589 available by request