8007-1007 Screening compound: 2-amino-7,7-dimethyl-5-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8007-1007 Screening compound: 2-amino-7,7-dimethyl-5-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8007-1007 Screening compound: 2-amino-7,7-dimethyl-5-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-1007
2-amino-7,7-dimethyl-5-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-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

8007-1007

Molecular Formula

C27H29N3O4 (C27 H29 N3 O4)

Compound Name

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

IUPAC name

2-amino-77-dimethyl-5-oxo-1-phenyl-4-(345-trimethoxyphenyl)-145678-hexahydroquinoline-3-carbonitrile

SMILES

CC(C)(C1)CC(N(c2ccccc2)C(N)=C(C2c(cc3OC)cc(OC)c3OC)C#N)=C2C1=O

InChI

InChI=1S/C27H29N3O4/c1-27(2)13-19-24(20(31)14-27)23(16-11-21(32-3)25(34-5)22(12-16)33-4)18(15-28)26(29)30(19)17-9-7-6-8-10-17/h6-12,23H,13-14,29H2,1-5H3/t23-/m1/s1

InChI Key

PCZMGHATDHIQDF-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD00828356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.369

Distribution Coefficient, logD

3.369

Water Solubility, LogSw

-3.68

Polar Surface Area

75.355

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

-4.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8007-1007 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 8007-1007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-1007?
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What is the minimum amount of 8007-1007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-1007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-1007
  • 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 8007-1007 available by request