8006-6809 Screening compound: 2-amino-4-(4-bromothiophen-2-yl)-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8006-6809 Screening compound: 2-amino-4-(4-bromothiophen-2-yl)-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8006-6809 Screening compound: 2-amino-4-(4-bromothiophen-2-yl)-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6809
2-amino-4-(4-bromothiophen-2-yl)-1-(4-chlorophenyl)-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

8006-6809

Molecular Formula

C22H19BrClN3OS (C22 H19 BrClN3 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(N(c(cc2)ccc2Cl)C(N)=C(C2c3cc(Br)cs3)C#N)=C2C1=O

InChI

InChI=1S/C22H19BrClN3OS/c1-22(2)8-16-20(17(28)9-22)19(18-7-12(23)11-29-18)15(10-25)21(26)27(16)14-5-3-13(24)4-6-14/h3-7,11,19H,8-9,26H2,1-2H3/t19-/m0/s1

InChI Key

VRMAOBRKVYHGGK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00826168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.84

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

4.940

Distribution Coefficient, logD

4.940

Water Solubility, LogSw

-4.95

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

27.30

8006-6809 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 8006-6809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6809?
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What is the minimum amount of 8006-6809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6809
  • 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 8006-6809 available by request