G842-0041 Screening compound: 1,4-dimethyl 2-{1-[(3-fluorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-amido}benzene-1,4-dicarboxylate

G842-0041 Screening compound: 1,4-dimethyl 2-{1-[(3-fluorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-amido}benzene-1,4-dicarboxylate
G842-0041 Screening compound: 1,4-dimethyl 2-{1-[(3-fluorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-amido}benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G842-0041
1,4-dimethyl 2-{1-[(3-fluorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-amido}benzene-1,4-dicarboxylate

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

G842-0041

Molecular Formula

C23H19FN2O6 (C23 H19 FN2 O6)

Compound Name

1,4-dimethyl 2-{1-[(3-fluorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-amido}benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-{1-[(3-fluorophenyl)methyl]-2-oxo-12-dihydropyridine-3-amido}benzene-14-dicarboxylate

SMILES

COC(c(cc1)cc(NC(C2=CC=CN(Cc3cccc(F)c3)C2=O)=O)c1C(OC)=O)=O

InChI

InChI=1S/C23H19FN2O6/c1-31-22(29)15-8-9-17(23(30)32-2)19(12-15)25-20(27)18-7-4-10-26(21(18)28)13-14-5-3-6-16(24)11-14/h3-12H,13H2,1-2H3,(H,25,27)

InChI Key

GOWHNVPCQXHDIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08028799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.980

Distribution Coefficient, logD

-0.301

Water Solubility, LogSw

-3.40

Polar Surface Area

80.694

Acid Dissociation Constant (pKa)

4.12

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

G842-0041 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G842-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G842-0041?
Check Price and Availability of G842-0041, 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 G842-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G842-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G842-0041
  • 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 G842-0041 available by request