G871-0042 Screening compound: ethyl 2-{2-[6-oxo-3-(phenylcarbamoyl)-1,6-dihydropyridazin-1-yl]acetamido}benzoate

G871-0042 Screening compound: ethyl 2-{2-[6-oxo-3-(phenylcarbamoyl)-1,6-dihydropyridazin-1-yl]acetamido}benzoate
G871-0042 Screening compound: ethyl 2-{2-[6-oxo-3-(phenylcarbamoyl)-1,6-dihydropyridazin-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G871-0042
ethyl 2-{2-[6-oxo-3-(phenylcarbamoyl)-1,6-dihydropyridazin-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

G871-0042

Molecular Formula

C22H20N4O5 (C22 H20 N4 O5)

Compound Name

ethyl 2-{2-[6-oxo-3-(phenylcarbamoyl)-1,6-dihydropyridazin-1-yl]acetamido}benzoate

IUPAC name

ethyl 2-{2-[6-oxo-3-(phenylcarbamoyl)-16-dihydropyridazin-1-yl]acetamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(C(C=C1)=O)N=C1C(Nc1ccccc1)=O)=O)=O

InChI

InChI=1S/C22H20N4O5/c1-2-31-22(30)16-10-6-7-11-17(16)24-19(27)14-26-20(28)13-12-18(25-26)21(29)23-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,23,29)(H,24,27)

InChI Key

DQIPZTTWUDCKNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08346747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.512

Distribution Coefficient, logD

2.505

Water Solubility, LogSw

-3.03

Polar Surface Area

95.116

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G871-0042 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G871-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G871-0042?
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What is the minimum amount of G871-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G871-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G871-0042
  • 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 G871-0042 available by request