4306-0138 Screening compound: 2-amino-4-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

4306-0138 Screening compound: 2-amino-4-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4306-0138 Screening compound: 2-amino-4-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4306-0138
2-amino-4-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-7,7-dimethyl-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

4306-0138

Molecular Formula

C24H24FN3OS (C24 H24 FN3 OS)

Compound Name

2-amino-4-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

2-amino-4-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-77-dimethyl-5-oxo-145678-hexahydroquinoline-3-carbonitrile

SMILES

CCc1ccc(C(C2=C3CC(C)(C)CC2=O)C(C#N)=C(N)N3c(cc2)ccc2F)s1

InChI

InChI=1S/C24H24FN3OS/c1-4-16-9-10-20(30-16)21-17(13-26)23(27)28(15-7-5-14(25)6-8-15)18-11-24(2,3)12-19(29)22(18)21/h5-10,21H,4,11-12,27H2,1-3H3/t21-/m0/s1

InChI Key

BUBMPJNOYVPOCF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03872547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.503

Distribution Coefficient, logD

4.503

Water Solubility, LogSw

-4.49

Polar Surface Area

53.395

Acid Dissociation Constant (pKa)

15.78

Base Dissociation Constant (pKb)

-4.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

4306-0138 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 4306-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4306-0138?
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What is the minimum amount of 4306-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4306-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4306-0138
  • 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 4306-0138 available by request