2036-0825 Screening compound: N-(4-methylphenyl)-2-(6-{5-[(4-methylphenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}pyridin-2-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide

2036-0825 Screening compound: N-(4-methylphenyl)-2-(6-{5-[(4-methylphenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}pyridin-2-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
2036-0825 Screening compound: N-(4-methylphenyl)-2-(6-{5-[(4-methylphenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}pyridin-2-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2036-0825
N-(4-methylphenyl)-2-(6-{5-[(4-methylphenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}pyridin-2-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-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

2036-0825

Molecular Formula

C37H25N5O6 (C37 H25 N5 O6)

Compound Name

N-(4-methylphenyl)-2-(6-{5-[(4-methylphenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}pyridin-2-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide

IUPAC name

N-(4-methylphenyl)-2-(6-{5-[(4-methylphenyl)carbamoyl]-13-dioxo-23-dihydro-1H-isoindol-2-yl}pyridin-2-yl)-13-dioxo-23-dihydro-1H-isoindole-5-carboxamide

SMILES

Cc(cc1)ccc1NC(c(cc1)cc(C(N2c3cccc(N(C(c(cc4)c5cc4C(Nc4ccc(C)cc4)=O)=O)C5=O)n3)=O)c1C2=O)=O

InChI

InChI=1S/C37H25N5O6/c1-20-6-12-24(13-7-20)38-32(43)22-10-16-26-28(18-22)36(47)41(34(26)45)30-4-3-5-31(40-30)42-35(46)27-17-11-23(19-29(27)37(42)48)33(44)39-25-14-8-21(2)9-15-25/h3-19H,1-2H3,(H,38,43)(H,39,44)

InChI Key

JGJSOCPBWNUTNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00304043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

635.64

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.759

Distribution Coefficient, logD

6.758

Water Solubility, LogSw

-5.68

Polar Surface Area

111.246

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.40

2036-0825 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with 2036-0825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2036-0825?
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What is the minimum amount of 2036-0825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2036-0825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2036-0825
  • 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 2036-0825 available by request