C200-5150 Screening compound: methyl 5-chloro-2-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]benzoate

C200-5150 Screening compound: methyl 5-chloro-2-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]benzoate
C200-5150 Screening compound: methyl 5-chloro-2-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5150
methyl 5-chloro-2-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]benzoate

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

C200-5150

Molecular Formula

C18H16ClN3O4 (C18 H16 ClN3 O4)

Compound Name

methyl 5-chloro-2-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]benzoate

IUPAC name

methyl 5-chloro-2-[2-(3-cyano-46-dimethyl-2-oxo-12-dihydropyridin-1-yl)acetamido]benzoate

SMILES

CC(C=C(C)N(CC(Nc(ccc(Cl)c1)c1C(OC)=O)=O)C1=O)=C1C#N

InChI

InChI=1S/C18H16ClN3O4/c1-10-6-11(2)22(17(24)14(10)8-20)9-16(23)21-15-5-4-12(19)7-13(15)18(25)26-3/h4-7H,9H2,1-3H3,(H,21,23)

InChI Key

SBDLDJQTBHHERA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09248442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.8

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.578

Distribution Coefficient, logD

2.035

Water Solubility, LogSw

-3.54

Polar Surface Area

76.109

Acid Dissociation Constant (pKa)

7.00

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C200-5150 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C200-5150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5150?
Check Price and Availability of C200-5150, 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 C200-5150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5150
  • 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 C200-5150 available by request