1708-0099 Screening compound: N-(3-acetylphenyl)-2-{4-[(3-acetylphenyl)carbamoyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide

1708-0099 Screening compound: N-(3-acetylphenyl)-2-{4-[(3-acetylphenyl)carbamoyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
1708-0099 Screening compound: N-(3-acetylphenyl)-2-{4-[(3-acetylphenyl)carbamoyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1708-0099
N-(3-acetylphenyl)-2-{4-[(3-acetylphenyl)carbamoyl]phenyl}-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

1708-0099

Molecular Formula

C32H23N3O6 (C32 H23 N3 O6)

Compound Name

N-(3-acetylphenyl)-2-{4-[(3-acetylphenyl)carbamoyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide

IUPAC name

N-(3-acetylphenyl)-2-{4-[(3-acetylphenyl)carbamoyl]phenyl}-13-dioxo-23-dihydro-1H-isoindole-5-carboxamide

SMILES

CC(c1cccc(NC(c(cc2)ccc2N(C(c(cc2)c3cc2C(Nc2cc(C(C)=O)ccc2)=O)=O)C3=O)=O)c1)=O

InChI

InChI=1S/C32H23N3O6/c1-18(36)21-5-3-7-24(15-21)33-29(38)20-9-12-26(13-10-20)35-31(40)27-14-11-23(17-28(27)32(35)41)30(39)34-25-8-4-6-22(16-25)19(2)37/h3-17H,1-2H3,(H,33,38)(H,34,39)

InChI Key

OOZZEEPZGINTSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00305974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.130

Distribution Coefficient, logD

4.092

Water Solubility, LogSw

-4.34

Polar Surface Area

102.716

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

1708-0099 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1708-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1708-0099?
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What is the minimum amount of 1708-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1708-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1708-0099
  • 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 1708-0099 available by request