G842-0947 Screening compound: methyl 2-{1-[(3-chlorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-amido}benzoate

G842-0947 Screening compound: methyl 2-{1-[(3-chlorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-amido}benzoate
G842-0947 Screening compound: methyl 2-{1-[(3-chlorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G842-0947
methyl 2-{1-[(3-chlorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-amido}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

G842-0947

Molecular Formula

C21H17ClN2O4 (C21 H17 ClN2 O4)

Compound Name

methyl 2-{1-[(3-chlorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-amido}benzoate

IUPAC name

methyl 2-{1-[(3-chlorophenyl)methyl]-2-oxo-12-dihydropyridine-3-amido}benzoate

SMILES

COC(c(cccc1)c1NC(C1=CC=CN(Cc2cccc(Cl)c2)C1=O)=O)=O

InChI

InChI=1S/C21H17ClN2O4/c1-28-21(27)16-8-2-3-10-18(16)23-19(25)17-9-5-11-24(20(17)26)13-14-6-4-7-15(22)12-14/h2-12H,13H2,1H3,(H,23,25)

InChI Key

CHEUMLXNUOJIGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08029705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.423

Distribution Coefficient, logD

0.715

Water Solubility, LogSw

-3.81

Polar Surface Area

59.520

Acid Dissociation Constant (pKa)

4.69

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

G842-0947 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 G842-0947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G842-0947?
Check Price and Availability of G842-0947, 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 G842-0947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G842-0947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G842-0947
  • 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 G842-0947 available by request