8012-9552 Screening compound: 2-amino-1-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8012-9552 Screening compound: 2-amino-1-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8012-9552 Screening compound: 2-amino-1-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9552
2-amino-1-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-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

8012-9552

Molecular Formula

C24H21F2N3O (C24 H21 F2 N3 O)

Compound Name

2-amino-1-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

2-amino-1-(26-difluorophenyl)-77-dimethyl-5-oxo-4-phenyl-145678-hexahydroquinoline-3-carbonitrile

SMILES

CC(C)(C1)CC(N(c(c(F)ccc2)c2F)C(N)=C(C2c3ccccc3)C#N)=C2C1=O

InChI

InChI=1S/C24H21F2N3O/c1-24(2)11-18-21(19(30)12-24)20(14-7-4-3-5-8-14)15(13-27)23(28)29(18)22-16(25)9-6-10-17(22)26/h3-10,20H,11-12,28H2,1-2H3/t20-/m0/s1

InChI Key

DKTCGJFVAGSFQK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03308249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.075

Distribution Coefficient, logD

4.075

Water Solubility, LogSw

-4.51

Polar Surface Area

51.775

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

-5.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8012-9552 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8012-9552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9552?
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What is the minimum amount of 8012-9552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9552
  • 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 8012-9552 available by request