K786-2829 Screening compound: N-CYCLOHEPTYL-3-OXO-2-[3-(1-PYRROLIDINYL)PROPYL]-1-ISOINDOLINECARBOXAMIDE

K786-2829 Screening compound: N-CYCLOHEPTYL-3-OXO-2-[3-(1-PYRROLIDINYL)PROPYL]-1-ISOINDOLINECARBOXAMIDE
K786-2829 Screening compound: N-CYCLOHEPTYL-3-OXO-2-[3-(1-PYRROLIDINYL)PROPYL]-1-ISOINDOLINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2829
N-CYCLOHEPTYL-3-OXO-2-[3-(1-PYRROLIDINYL)PROPYL]-1-ISOINDOLINECARBOXAMIDE

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

K786-2829

Molecular Formula

C23H33N3O2 (C23 H33 N3 O2)

Compound Name

N-CYCLOHEPTYL-3-OXO-2-[3-(1-PYRROLIDINYL)PROPYL]-1-ISOINDOLINECARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(C(c1c2cccc1)N(CCCN1CCCC1)C2=O)NC1CCCCCC1

InChI

InChI=1S/C23H33N3O2/c27-22(24-18-10-3-1-2-4-11-18)21-19-12-5-6-13-20(19)23(28)26(21)17-9-16-25-14-7-8-15-25/h5-6,12-13,18,21H,1-4,7-11,14-17H2,(H,24,27)/t21-/m0/s1

InChI Key

HPTRTDSCXNWREL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD05030477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.428

Distribution Coefficient, logD

0.863

Water Solubility, LogSw

-3.74

Polar Surface Area

45.085

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

9.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.20

K786-2829 in Drug Discovery

Included in Screening Libraries

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

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with K786-2829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2829?
Check Price and Availability of K786-2829, 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 K786-2829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2829
  • 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 K786-2829 available by request