8018-4678 Screening compound: 9-methyl-2-oxo-7-(pyridin-2-yl)-1H,2H,5H,6H,7H-pyrido[2,3-e]indazole-3-carbonitrile

8018-4678 Screening compound: 9-methyl-2-oxo-7-(pyridin-2-yl)-1H,2H,5H,6H,7H-pyrido[2,3-e]indazole-3-carbonitrile
8018-4678 Screening compound: 9-methyl-2-oxo-7-(pyridin-2-yl)-1H,2H,5H,6H,7H-pyrido[2,3-e]indazole-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4678
9-methyl-2-oxo-7-(pyridin-2-yl)-1H,2H,5H,6H,7H-pyrido[2,3-e]indazole-3-carbonitrile

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

8018-4678

Molecular Formula

C17H13N5O (C17 H13 N5 O)

Compound Name

9-methyl-2-oxo-7-(pyridin-2-yl)-1H,2H,5H,6H,7H-pyrido[2,3-e]indazole-3-carbonitrile

IUPAC name

9-methyl-2-oxo-7-(pyridin-2-yl)-1H2H5H6H7H-pyrido[23-e]indazole-3-carbonitrile

SMILES

Cc(c1c2CCC(C=C3C#N)=C1NC3=O)nn2-c1ncccc1

InChI

InChI=1S/C17H13N5O/c1-10-15-13(22(21-10)14-4-2-3-7-19-14)6-5-11-8-12(9-18)17(23)20-16(11)15/h2-4,7-8H,5-6H2,1H3,(H,20,23)

InChI Key

CXQBPFBUKUBEMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.454

Distribution Coefficient, logD

0.272

Water Solubility, LogSw

-2.00

Polar Surface Area

64.944

Acid Dissociation Constant (pKa)

6.25

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

8018-4678 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8018-4678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4678?
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What is the minimum amount of 8018-4678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4678
  • 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 8018-4678 available by request