K836-0272 Screening compound: 4-(3-bromo-4,5-dimethoxyphenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one

K836-0272 Screening compound: 4-(3-bromo-4,5-dimethoxyphenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one
K836-0272 Screening compound: 4-(3-bromo-4,5-dimethoxyphenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,5,6,7,8-hexahydroquinolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K836-0272
4-(3-bromo-4,5-dimethoxyphenyl)-2,7,7-trimethyl-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

K836-0272

Molecular Formula

C26H33BrN2O4 (C26 H33 BrN2 O4)

Compound Name

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

IUPAC name

4-(3-bromo-45-dimethoxyphenyl)-277-trimethyl-3-(piperidine-1-carbonyl)-145678-hexahydroquinolin-5-one

SMILES

CC(C)(C1)CC(NC(C)=C(C2c(cc3OC)cc(Br)c3OC)C(N3CCCCC3)=O)=C2C1=O

InChI

InChI=1S/C26H33BrN2O4/c1-15-21(25(31)29-9-7-6-8-10-29)22(16-11-17(27)24(33-5)20(12-16)32-4)23-18(28-15)13-26(2,3)14-19(23)30/h11-12,22,28H,6-10,13-14H2,1-5H3/t22-/m0/s1

InChI Key

FQRDRSQGLOAOEA-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03632501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.383

Distribution Coefficient, logD

0.876

Water Solubility, LogSw

-4.34

Polar Surface Area

55.917

Acid Dissociation Constant (pKa)

3.89

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with K836-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K836-0272?
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What is the minimum amount of K836-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K836-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K836-0272
  • 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 K836-0272 available by request