G871-0197 Screening compound: N-(4-methylphenyl)-6-oxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-1,6-dihydropyridazine-3-carboxamide

G871-0197 Screening compound: N-(4-methylphenyl)-6-oxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-1,6-dihydropyridazine-3-carboxamide
G871-0197 Screening compound: N-(4-methylphenyl)-6-oxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-1,6-dihydropyridazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G871-0197
N-(4-methylphenyl)-6-oxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-1,6-dihydropyridazine-3-carboxamide

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

G871-0197

Molecular Formula

C19H22N4O4 (C19 H22 N4 O4)

Compound Name

N-(4-methylphenyl)-6-oxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-1,6-dihydropyridazine-3-carboxamide

IUPAC name

N-(4-methylphenyl)-6-oxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-16-dihydropyridazine-3-carboxamide

SMILES

Cc(cc1)ccc1NC(C(C=C1)=NN(CC(NCC2OCCC2)=O)C1=O)=O

InChI

InChI=1S/C19H22N4O4/c1-13-4-6-14(7-5-13)21-19(26)16-8-9-18(25)23(22-16)12-17(24)20-11-15-3-2-10-27-15/h4-9,15H,2-3,10-12H2,1H3,(H,20,24)(H,21,26)/t15-/m1/s1

InChI Key

YELIGYXUDRFDOV-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD08346900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.892

Distribution Coefficient, logD

0.883

Water Solubility, LogSw

-2.10

Polar Surface Area

85.036

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

G871-0197 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G871-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G871-0197?
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What is the minimum amount of G871-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G871-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G871-0197
  • 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 G871-0197 available by request