8012-9564 Screening compound: 2-amino-1-(2,6-difluorophenyl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8012-9564 Screening compound: 2-amino-1-(2,6-difluorophenyl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8012-9564 Screening compound: 2-amino-1-(2,6-difluorophenyl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9564
2-amino-1-(2,6-difluorophenyl)-5-oxo-4-(thiophen-2-yl)-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

8012-9564

Molecular Formula

C20H15F2N3OS (C20 H15 F2 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

NC(N(C(CCC1)=C(C2c3cccs3)C1=O)c(c(F)ccc1)c1F)=C2C#N

InChI

InChI=1S/C20H15F2N3OS/c21-12-4-1-5-13(22)19(12)25-14-6-2-7-15(26)18(14)17(11(10-23)20(25)24)16-8-3-9-27-16/h1,3-5,8-9,17H,2,6-7,24H2/t17-/m0/s1

InChI Key

BRXZIACRRVRZOQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03308189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.42

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

3.151

Distribution Coefficient, logD

3.151

Water Solubility, LogSw

-3.42

Polar Surface Area

52.793

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

-5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8012-9564 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 8012-9564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9564?
Check Price and Availability of 8012-9564, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8012-9564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9564
  • 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 8012-9564 available by request