3342-1143 Screening compound: methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate

3342-1143 Screening compound: methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
3342-1143 Screening compound: methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3342-1143
methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate

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

3342-1143

Molecular Formula

C12H11NO4 (C12 H11 NO4)

Compound Name

methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate

IUPAC name

methyl 4-(25-dioxopyrrolidin-1-yl)benzoate

SMILES

COC(c(cc1)ccc1N(C(CC1)=O)C1=O)=O

InChI

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

InChI Key

PZDXBHKHLXZGRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00728515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.301

Distribution Coefficient, logD

0.301

Water Solubility, LogSw

-1.44

Polar Surface Area

50.881

Acid Dissociation Constant (pKa)

18.69

Base Dissociation Constant (pKb)

-6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3342-1143 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3342-1143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3342-1143?
Check Price and Availability of 3342-1143, 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 3342-1143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3342-1143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3342-1143
  • 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 3342-1143 available by request