3235-0098 Screening compound: N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamide

3235-0098 Screening compound: N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamide
3235-0098 Screening compound: N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3235-0098
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamide

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

3235-0098

Molecular Formula

C31H25N3O4 (C31 H25 N3 O4)

Compound Name

N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamide

IUPAC name

N-(3-cyano-45-diphenylfuran-2-yl)-2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-4-methylpentanamide

SMILES

CC(C)CC(C(Nc(oc(-c1ccccc1)c1-c2ccccc2)c1C#N)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C31H25N3O4/c1-19(2)17-25(34-30(36)22-15-9-10-16-23(22)31(34)37)28(35)33-29-24(18-32)26(20-11-5-3-6-12-20)27(38-29)21-13-7-4-8-14-21/h3-16,19,25H,17H2,1-2H3,(H,33,35)/t25-/m0/s1

InChI Key

QEBSGLRDNLYDIO-VWLOTQADSA-N

MDL Number (MFCD)

MFCD01464668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.375

Distribution Coefficient, logD

6.375

Water Solubility, LogSw

-5.73

Polar Surface Area

77.477

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

-9.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.10

3235-0098 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3235-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3235-0098?
Check Price and Availability of 3235-0098, 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 3235-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3235-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3235-0098
  • 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 3235-0098 available by request