8018-4681 Screening compound: 7-(2,4-difluorophenyl)-9-methyl-2-oxo-2,5,6,7-tetrahydro-1H-pyrazolo[3,4-h]quinolin-3-yl cyanide

8018-4681 Screening compound: 7-(2,4-difluorophenyl)-9-methyl-2-oxo-2,5,6,7-tetrahydro-1H-pyrazolo[3,4-h]quinolin-3-yl cyanide
8018-4681 Screening compound: 7-(2,4-difluorophenyl)-9-methyl-2-oxo-2,5,6,7-tetrahydro-1H-pyrazolo[3,4-h]quinolin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4681
7-(2,4-difluorophenyl)-9-methyl-2-oxo-2,5,6,7-tetrahydro-1H-pyrazolo[3,4-h]quinolin-3-yl cyanide

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

8018-4681

Molecular Formula

C18H12F2N4O (C18 H12 F2 N4 O)

Compound Name

7-(2,4-difluorophenyl)-9-methyl-2-oxo-2,5,6,7-tetrahydro-1H-pyrazolo[3,4-h]quinolin-3-yl cyanide

IUPAC name

7-(24-difluorophenyl)-9-methyl-2-oxo-1H2H5H6H7H-pyrido[23-e]indazole-3-carbonitrile

SMILES

Cc(c1c2CCC(C=C3C#N)=C1NC3=O)nn2-c(ccc(F)c1)c1F

InChI

InChI=1S/C18H12F2N4O/c1-9-16-15(24(23-9)14-5-3-12(19)7-13(14)20)4-2-10-6-11(8-21)18(25)22-17(10)16/h3,5-7H,2,4H2,1H3,(H,22,25)

InChI Key

JNFFNXVKJRRJCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.004

Distribution Coefficient, logD

0.904

Water Solubility, LogSw

-2.68

Polar Surface Area

56.132

Acid Dissociation Constant (pKa)

6.34

Base Dissociation Constant (pKb)

-3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8018-4681 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-4681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4681?
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What is the minimum amount of 8018-4681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4681
  • 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 8018-4681 available by request