8006-5622 Screening compound: 2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8006-5622 Screening compound: 2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8006-5622 Screening compound: 2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5622
2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-1-(3-methylphenyl)-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

8006-5622

Molecular Formula

C23H22BrN3OS (C23 H22 BrN3 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(N(c2cc(C)ccc2)C(N)=C(C2c(s3)ccc3Br)C#N)=C2C1=O

InChI

InChI=1S/C23H22BrN3OS/c1-13-5-4-6-14(9-13)27-16-10-23(2,3)11-17(28)21(16)20(15(12-25)22(27)26)18-7-8-19(24)29-18/h4-9,20H,10-11,26H2,1-3H3/t20-/m0/s1

InChI Key

ACFIHWLVFNGDTL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00825670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.42

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

4.862

Distribution Coefficient, logD

4.862

Water Solubility, LogSw

-4.83

Polar Surface Area

53.395

Acid Dissociation Constant (pKa)

16.50

Base Dissociation Constant (pKb)

-4.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

8006-5622 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 8006-5622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5622?
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What is the minimum amount of 8006-5622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5622
  • 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 8006-5622 available by request