8012-9082 Screening compound: 2-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-3-(4-hydroxyphenyl)propanoic acid

8012-9082 Screening compound: 2-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-3-(4-hydroxyphenyl)propanoic acid
8012-9082 Screening compound: 2-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-3-(4-hydroxyphenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9082
2-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-3-(4-hydroxyphenyl)propanoic acid

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

8012-9082

Molecular Formula

C23H24N2O6 (C23 H24 N2 O6)

Compound Name

2-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-3-(4-hydroxyphenyl)propanoic acid

IUPAC name

2-[6-(13-dioxo-23-dihydro-1H-isoindol-2-yl)hexanamido]-3-(4-hydroxyphenyl)propanoic acid

SMILES

OC(C(Cc(cc1)ccc1O)NC(CCCCCN(C(c1c2cccc1)=O)C2=O)=O)=O

InChI

InChI=1S/C23H24N2O6/c26-16-11-9-15(10-12-16)14-19(23(30)31)24-20(27)8-2-1-5-13-25-21(28)17-6-3-4-7-18(17)22(25)29/h3-4,6-7,9-12,19,26H,1-2,5,8,13-14H2,(H,24,27)(H,30,31)/t19-/m0/s1

InChI Key

HAJIDBIINNOEFT-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03133673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.956

Distribution Coefficient, logD

-2.635

Water Solubility, LogSw

-2.09

Polar Surface Area

99.597

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

8012-9082 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8012-9082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9082?
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What is the minimum amount of 8012-9082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9082
  • 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 8012-9082 available by request