C257-0198 Screening compound: N-(butan-2-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

C257-0198 Screening compound: N-(butan-2-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide
C257-0198 Screening compound: N-(butan-2-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C257-0198
N-(butan-2-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl]-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

C257-0198

Molecular Formula

C23H28N2O4 (C23 H28 N2 O4)

Compound Name

N-(butan-2-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

IUPAC name

N-(butan-2-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-23-dihydro-1H-isoindole-1-carboxamide

SMILES

CCC(C)NC(C(c1c2cccc1)N(Cc(cc1)cc(OC)c1OCC)C2=O)=O

InChI

InChI=1S/C23H28N2O4/c1-5-15(3)24-22(26)21-17-9-7-8-10-18(17)23(27)25(21)14-16-11-12-19(29-6-2)20(13-16)28-4/h7-13,15,21H,5-6,14H2,1-4H3,(H,24,26)

InChI Key

PIWOZKSBPJIKQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

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

2.974

Distribution Coefficient, logD

2.974

Water Solubility, LogSw

-3.39

Polar Surface Area

55.256

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

C257-0198 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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
  • Pool
Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C257-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C257-0198?
Check Price and Availability of C257-0198, 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 C257-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C257-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C257-0198
  • 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 C257-0198 available by request