4306-0563 Screening compound: 2-amino-1-(2,6-difluorophenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

4306-0563 Screening compound: 2-amino-1-(2,6-difluorophenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4306-0563 Screening compound: 2-amino-1-(2,6-difluorophenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4306-0563
2-amino-1-(2,6-difluorophenyl)-4-(2,5-dimethylthiophen-3-yl)-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

4306-0563

Molecular Formula

C22H19F2N3OS (C22 H19 F2 N3 OS)

Compound Name

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

IUPAC name

2-amino-1-(26-difluorophenyl)-4-(25-dimethylthiophen-3-yl)-5-oxo-145678-hexahydroquinoline-3-carbonitrile

SMILES

Cc1cc(C(C2=C3CCCC2=O)C(C#N)=C(N)N3c(c(F)ccc2)c2F)c(C)s1

InChI

InChI=1S/C22H19F2N3OS/c1-11-9-13(12(2)29-11)19-14(10-25)22(26)27(17-7-4-8-18(28)20(17)19)21-15(23)5-3-6-16(21)24/h3,5-6,9,19H,4,7-8,26H2,1-2H3/t19-/m1/s1

InChI Key

BAGLNFOAGSEKTN-LJQANCHMSA-N

MDL Number (MFCD)

MFCD03933939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

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

4.300

Distribution Coefficient, logD

4.300

Water Solubility, LogSw

-4.60

Polar Surface Area

52.793

Acid Dissociation Constant (pKa)

14.10

Base Dissociation Constant (pKb)

-5.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

4306-0563 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 4306-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4306-0563?
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What is the minimum amount of 4306-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4306-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4306-0563
  • 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 4306-0563 available by request