K836-0642 Screening compound: 4-(5-bromo-2-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one

K836-0642 Screening compound: 4-(5-bromo-2-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one
K836-0642 Screening compound: 4-(5-bromo-2-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K836-0642
4-(5-bromo-2-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one

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

K836-0642

Molecular Formula

C22H24BrFN2O2 (C22 H24 BrFN2 O2)

Compound Name

4-(5-bromo-2-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one

IUPAC name

4-(5-bromo-2-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-145678-hexahydroquinolin-5-one

SMILES

CC(NC(CCC1)=C(C2c(cc(cc3)Br)c3F)C1=O)=C2C(N1CCCCC1)=O

InChI

InChI=1S/C22H24BrFN2O2/c1-13-19(22(28)26-10-3-2-4-11-26)20(15-12-14(23)8-9-16(15)24)21-17(25-13)6-5-7-18(21)27/h8-9,12,20,25H,2-7,10-11H2,1H3/t20-/m0/s1

InChI Key

FBOMASOLOGTKGD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03632529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.365

Distribution Coefficient, logD

1.412

Water Solubility, LogSw

-4.32

Polar Surface Area

40.570

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

K836-0642 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K836-0642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K836-0642?
Check Price and Availability of K836-0642, 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 K836-0642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K836-0642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K836-0642
  • 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 K836-0642 available by request