C257-0045 Screening compound: 2-[(2-chlorophenyl)methyl]-N-(2,3-dimethylcyclohexyl)-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

C257-0045 Screening compound: 2-[(2-chlorophenyl)methyl]-N-(2,3-dimethylcyclohexyl)-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide
C257-0045 Screening compound: 2-[(2-chlorophenyl)methyl]-N-(2,3-dimethylcyclohexyl)-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C257-0045
2-[(2-chlorophenyl)methyl]-N-(2,3-dimethylcyclohexyl)-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

C257-0045

Molecular Formula

C24H27ClN2O2 (C24 H27 ClN2 O2)

Compound Name

2-[(2-chlorophenyl)methyl]-N-(2,3-dimethylcyclohexyl)-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

IUPAC name

2-[(2-chlorophenyl)methyl]-N-(23-dimethylcyclohexyl)-3-oxo-23-dihydro-1H-isoindole-1-carboxamide

SMILES

CC(CCC1)C(C)C1NC(C(c1c2cccc1)N(Cc(cccc1)c1Cl)C2=O)=O

InChI

InChI=1S/C24H27ClN2O2/c1-15-8-7-13-21(16(15)2)26-23(28)22-18-10-4-5-11-19(18)24(29)27(22)14-17-9-3-6-12-20(17)25/h3-6,9-12,15-16,21-22H,7-8,13-14H2,1-2H3,(H,26,28)

InChI Key

ZOSJSAFCIBRODS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.616

Distribution Coefficient, logD

4.616

Water Solubility, LogSw

-4.70

Polar Surface Area

40.817

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

41.70

C257-0045 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Cyclic Ugi PPI Library (9586 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C257-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C257-0045?
Check Price and Availability of C257-0045, 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 C257-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C257-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C257-0045
  • 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 C257-0045 available by request