K786-5566 Screening compound: 2-[(5-bromo-2-methoxyphenyl)methyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

K786-5566 Screening compound: 2-[(5-bromo-2-methoxyphenyl)methyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide
K786-5566 Screening compound: 2-[(5-bromo-2-methoxyphenyl)methyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5566
2-[(5-bromo-2-methoxyphenyl)methyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

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

K786-5566

Molecular Formula

C27H34BrN3O3 (C27 H34 BrN3 O3)

Compound Name

2-[(5-bromo-2-methoxyphenyl)methyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

IUPAC name

2-[(5-bromo-2-methoxyphenyl)methyl]-N-[3-(35-dimethylpiperidin-1-yl)propyl]-3-oxo-23-dihydro-1H-isoindole-1-carboxamide

SMILES

CC1CN(CCCNC(C(c2c3cccc2)N(Cc(cc(cc2)Br)c2OC)C3=O)=O)CC(C)C1

InChI

InChI=1S/C27H34BrN3O3/c1-18-13-19(2)16-30(15-18)12-6-11-29-26(32)25-22-7-4-5-8-23(22)27(33)31(25)17-20-14-21(28)9-10-24(20)34-3/h4-5,7-10,14,18-19,25H,6,11-13,15-17H2,1-3H3,(H,29,32)

InChI Key

NTKCGXOOCPGPNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.549

Distribution Coefficient, logD

1.944

Water Solubility, LogSw

-4.19

Polar Surface Area

52.023

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

48.10

K786-5566 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

Cyclic Ugi PPI Library (9586 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with K786-5566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5566?
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What is the minimum amount of K786-5566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5566
  • 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 K786-5566 available by request