4334-1018 Screening compound: 3-(2,5-dioxopyrrolidin-1-yl)-4-methylbenzoic acid

4334-1018 Screening compound: 3-(2,5-dioxopyrrolidin-1-yl)-4-methylbenzoic acid
4334-1018 Screening compound: 3-(2,5-dioxopyrrolidin-1-yl)-4-methylbenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4334-1018
3-(2,5-dioxopyrrolidin-1-yl)-4-methylbenzoic 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

4334-1018

Molecular Formula

C12H11NO4 (C12 H11 NO4)

Compound Name

3-(2,5-dioxopyrrolidin-1-yl)-4-methylbenzoic acid

IUPAC name

3-(25-dioxopyrrolidin-1-yl)-4-methylbenzoic acid

SMILES

Cc(ccc(C(O)=O)c1)c1N(C(CC1)=O)C1=O

InChI

InChI=1S/C12H11NO4/c1-7-2-3-8(12(16)17)6-9(7)13-10(14)4-5-11(13)15/h2-3,6H,4-5H2,1H3,(H,16,17)

InChI Key

DXWXNJRVULDSKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01576758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.712

Distribution Coefficient, logD

-1.560

Water Solubility, LogSw

-1.42

Polar Surface Area

57.814

Acid Dissociation Constant (pKa)

5.13

Base Dissociation Constant (pKb)

-6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4334-1018 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4334-1018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4334-1018?
Check Price and Availability of 4334-1018, 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 4334-1018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4334-1018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4334-1018
  • 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 4334-1018 available by request