K836-0602 Screening compound: 4-(4-bromophenyl)-2-methyl-3-(piperidine-1-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one

K836-0602 Screening compound: 4-(4-bromophenyl)-2-methyl-3-(piperidine-1-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one
K836-0602 Screening compound: 4-(4-bromophenyl)-2-methyl-3-(piperidine-1-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K836-0602
4-(4-bromophenyl)-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

K836-0602

Molecular Formula

C22H25BrN2O2 (C22 H25 BrN2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(CCC1)=C(C2c(cc3)ccc3Br)C1=O)=C2C(N1CCCCC1)=O

InChI

InChI=1S/C22H25BrN2O2/c1-14-19(22(27)25-12-3-2-4-13-25)20(15-8-10-16(23)11-9-15)21-17(24-14)6-5-7-18(21)26/h8-11,20,24H,2-7,12-13H2,1H3/t20-/m0/s1

InChI Key

DYVOCACGXDLVQB-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD04057040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.36

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

4.013

Distribution Coefficient, logD

0.897

Water Solubility, LogSw

-4.15

Polar Surface Area

40.570

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with K836-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K836-0602?
Check Price and Availability of K836-0602, 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 K836-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K836-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K836-0602
  • 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 K836-0602 available by request