4334-1587 Screening compound: 5-hydroxy-2-[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido]benzoic acid

4334-1587 Screening compound: 5-hydroxy-2-[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido]benzoic acid
4334-1587 Screening compound: 5-hydroxy-2-[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4334-1587
5-hydroxy-2-[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido]benzoic 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

4334-1587

Molecular Formula

C21H20N2O6 (C21 H20 N2 O6)

Compound Name

5-hydroxy-2-[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido]benzoic acid

IUPAC name

5-hydroxy-2-[2-(3-methylbutyl)-13-dioxo-23-dihydro-1H-isoindole-5-amido]benzoic acid

SMILES

CC(C)CCN(C(c(cc1)c2cc1C(Nc(ccc(O)c1)c1C(O)=O)=O)=O)C2=O

InChI

InChI=1S/C21H20N2O6/c1-11(2)7-8-23-19(26)14-5-3-12(9-15(14)20(23)27)18(25)22-17-6-4-13(24)10-16(17)21(28)29/h3-6,9-11,24H,7-8H2,1-2H3,(H,22,25)(H,28,29)

InChI Key

KGNAMEZQMIFWIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01974148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.282

Distribution Coefficient, logD

-1.273

Water Solubility, LogSw

-3.41

Polar Surface Area

98.160

Acid Dissociation Constant (pKa)

2.85

Base Dissociation Constant (pKb)

-4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

4334-1587 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 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
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4334-1587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4334-1587?
Check Price and Availability of 4334-1587, 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 4334-1587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4334-1587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4334-1587
  • 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 4334-1587 available by request