6049-2634 Screening compound: 2-amino-4-(2-ethoxyphenyl)-7,7-dimethyl-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

6049-2634 Screening compound: 2-amino-4-(2-ethoxyphenyl)-7,7-dimethyl-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
6049-2634 Screening compound: 2-amino-4-(2-ethoxyphenyl)-7,7-dimethyl-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-2634
2-amino-4-(2-ethoxyphenyl)-7,7-dimethyl-5-oxo-1-(pyridin-3-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

6049-2634

Molecular Formula

C25H26N4O2 (C25 H26 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(C(C2=C3CC(C)(C)CC2=O)C(C#N)=C(N)N3c2cnccc2)cccc1

InChI

InChI=1S/C25H26N4O2/c1-4-31-21-10-6-5-9-17(21)22-18(14-26)24(27)29(16-8-7-11-28-15-16)19-12-25(2,3)13-20(30)23(19)22/h5-11,15,22H,4,12-13,27H2,1-3H3/t22-/m1/s1

InChI Key

NRFFQCQTJDDFSO-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03758653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.309

Distribution Coefficient, logD

3.309

Water Solubility, LogSw

-3.29

Polar Surface Area

69.105

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

6049-2634 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Therapeutical Diversity Annotated Library (7563 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 6049-2634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-2634?
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What is the minimum amount of 6049-2634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-2634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-2634
  • 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 6049-2634 available by request