0199-0116 Screening compound: 3,4-dihydroxy-1-(2-methylphenyl)pyrrolidine-2,5-dione

0199-0116 Screening compound: 3,4-dihydroxy-1-(2-methylphenyl)pyrrolidine-2,5-dione
0199-0116 Screening compound: 3,4-dihydroxy-1-(2-methylphenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0199-0116
3,4-dihydroxy-1-(2-methylphenyl)pyrrolidine-2,5-dione

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

0199-0116

Molecular Formula

C11H11NO4 (C11 H11 NO4)

Compound Name

3,4-dihydroxy-1-(2-methylphenyl)pyrrolidine-2,5-dione

IUPAC name

34-dihydroxy-1-(2-methylphenyl)pyrrolidine-25-dione

SMILES

Cc(cccc1)c1N(C(C(C1O)O)=O)C1=O

InChI

InChI=1S/C11H11NO4/c1-6-4-2-3-5-7(6)12-10(15)8(13)9(14)11(12)16/h2-5,8-9,13-14H,1H3

InChI Key

OUWXBJIGIYTPPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00450308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.779

Distribution Coefficient, logD

-0.779

Water Solubility, LogSw

-1.34

Polar Surface Area

59.869

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

-4.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

0199-0116 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 0199-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0199-0116?
Check Price and Availability of 0199-0116, 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 0199-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0199-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0199-0116
  • 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 0199-0116 available by request