C257-0113 Screening compound: N-cycloheptyl-3-oxo-2-(3-pyridylmethyl)-1-isoindolinecarboxamide

C257-0113 Screening compound: N-cycloheptyl-3-oxo-2-(3-pyridylmethyl)-1-isoindolinecarboxamide
C257-0113 Screening compound: N-cycloheptyl-3-oxo-2-(3-pyridylmethyl)-1-isoindolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C257-0113
N-cycloheptyl-3-oxo-2-(3-pyridylmethyl)-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

C257-0113

Molecular Formula

C22H25N3O2 (C22 H25 N3 O2)

Compound Name

N-cycloheptyl-3-oxo-2-(3-pyridylmethyl)-1-isoindolinecarboxamide

IUPAC name

n/a

SMILES

O=C(C(c1c2cccc1)N(Cc1cnccc1)C2=O)NC1CCCCCC1

InChI

InChI=1S/C22H25N3O2/c26-21(24-17-9-3-1-2-4-10-17)20-18-11-5-6-12-19(18)22(27)25(20)15-16-8-7-13-23-14-16/h5-8,11-14,17,20H,1-4,9-10,15H2,(H,24,26)/t20-/m0/s1

InChI Key

CZBDVMAGKIEUSN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14736604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.988

Distribution Coefficient, logD

2.988

Water Solubility, LogSw

-3.28

Polar Surface Area

50.276

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

C257-0113 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Cyclic Ugi PPI Library (9586 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C257-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C257-0113?
Check Price and Availability of C257-0113, 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 C257-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C257-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C257-0113
  • 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 C257-0113 available by request