8006-9380 Screening compound: 2-amino-1-(3-chloro-2-methylphenyl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8006-9380 Screening compound: 2-amino-1-(3-chloro-2-methylphenyl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8006-9380 Screening compound: 2-amino-1-(3-chloro-2-methylphenyl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9380
2-amino-1-(3-chloro-2-methylphenyl)-5-oxo-4-(thiophen-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

8006-9380

Molecular Formula

C21H18ClN3OS (C21 H18 ClN3 OS)

Compound Name

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

IUPAC name

2-amino-1-(3-chloro-2-methylphenyl)-5-oxo-4-(thiophen-3-yl)-145678-hexahydroquinoline-3-carbonitrile

SMILES

Cc(c(N(C(CCC1)=C(C2c3cscc3)C1=O)C(N)=C2C#N)ccc1)c1Cl

InChI

InChI=1S/C21H18ClN3OS/c1-12-15(22)4-2-5-16(12)25-17-6-3-7-18(26)20(17)19(13-8-9-27-11-13)14(10-23)21(25)24/h2,4-5,8-9,11,19H,3,6-7,24H2,1H3/t19-/m0/s1

InChI Key

UWNJDUIFNBUBBK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00827460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.91

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

3.959

Distribution Coefficient, logD

3.959

Water Solubility, LogSw

-4.22

Polar Surface Area

53.094

Acid Dissociation Constant (pKa)

14.42

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

8006-9380 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 8006-9380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9380?
Check Price and Availability of 8006-9380, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8006-9380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9380
  • 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 8006-9380 available by request