8012-9547 Screening compound: 2-amino-1-(2,6-difluorophenyl)-4-(3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8012-9547 Screening compound: 2-amino-1-(2,6-difluorophenyl)-4-(3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8012-9547 Screening compound: 2-amino-1-(2,6-difluorophenyl)-4-(3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9547
2-amino-1-(2,6-difluorophenyl)-4-(3-methoxyphenyl)-5-oxo-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

8012-9547

Molecular Formula

C23H19F2N3O2 (C23 H19 F2 N3 O2)

Compound Name

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

IUPAC name

2-amino-1-(26-difluorophenyl)-4-(3-methoxyphenyl)-5-oxo-145678-hexahydroquinoline-3-carbonitrile

SMILES

COc1cccc(C(C2=C3CCCC2=O)C(C#N)=C(N)N3c(c(F)ccc2)c2F)c1

InChI

InChI=1S/C23H19F2N3O2/c1-30-14-6-2-5-13(11-14)20-15(12-26)23(27)28(18-9-4-10-19(29)21(18)20)22-16(24)7-3-8-17(22)25/h2-3,5-8,11,20H,4,9-10,27H2,1H3/t20-/m0/s1

InChI Key

PQBDWJNRXFZZOM-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03307994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.459

Distribution Coefficient, logD

3.459

Water Solubility, LogSw

-3.99

Polar Surface Area

59.319

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

-4.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

8012-9547 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 8012-9547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9547?
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What is the minimum amount of 8012-9547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9547
  • 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 8012-9547 available by request