G871-0167 Screening compound: methyl 4-(2-{3-[(4-methylphenyl)carbamoyl]-6-oxo-1,6-dihydropyridazin-1-yl}acetamido)benzoate

G871-0167 Screening compound: methyl 4-(2-{3-[(4-methylphenyl)carbamoyl]-6-oxo-1,6-dihydropyridazin-1-yl}acetamido)benzoate
G871-0167 Screening compound: methyl 4-(2-{3-[(4-methylphenyl)carbamoyl]-6-oxo-1,6-dihydropyridazin-1-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G871-0167
methyl 4-(2-{3-[(4-methylphenyl)carbamoyl]-6-oxo-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

G871-0167

Molecular Formula

C22H20N4O5 (C22 H20 N4 O5)

Compound Name

methyl 4-(2-{3-[(4-methylphenyl)carbamoyl]-6-oxo-1,6-dihydropyridazin-1-yl}acetamido)benzoate

IUPAC name

methyl 4-(2-{3-[(4-methylphenyl)carbamoyl]-6-oxo-16-dihydropyridazin-1-yl}acetamido)benzoate

SMILES

Cc(cc1)ccc1NC(C(C=C1)=NN(CC(Nc(cc2)ccc2C(OC)=O)=O)C1=O)=O

InChI

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

InChI Key

HCDFGUSHQDAYBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08346870

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

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.950

Distribution Coefficient, logD

2.941

Water Solubility, LogSw

-3.37

Polar Surface Area

96.233

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G871-0167 in Drug Discovery

Included in Screening Libraries

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

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G871-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G871-0167?
Check Price and Availability of G871-0167, 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 G871-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G871-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G871-0167
  • 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 G871-0167 available by request