8007-5641 Screening compound: 2-amino-4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8007-5641 Screening compound: 2-amino-4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8007-5641 Screening compound: 2-amino-4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-5641
2-amino-4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-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

8007-5641

Molecular Formula

C27H29N3O3 (C27 H29 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(C(C2=C3CC(C)(C)CC2=O)C(C#N)=C(N)N3c(cc2)ccc2OC)cc1

InChI

InChI=1S/C27H29N3O3/c1-5-33-20-10-6-17(7-11-20)24-21(16-28)26(29)30(18-8-12-19(32-4)13-9-18)22-14-27(2,3)15-23(31)25(22)24/h6-13,24H,5,14-15,29H2,1-4H3/t24-/m1/s1

InChI Key

NTXYNQBTCXSDCE-XMMPIXPASA-N

MDL Number (MFCD)

MFCD01239433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.043

Distribution Coefficient, logD

4.043

Water Solubility, LogSw

-4.38

Polar Surface Area

67.044

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

-3.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8007-5641 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 8007-5641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-5641?
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What is the minimum amount of 8007-5641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-5641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-5641
  • 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 8007-5641 available by request