4361-0237 Screening compound: 4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}benzoic acid

4361-0237 Screening compound: 4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}benzoic acid
4361-0237 Screening compound: 4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4361-0237
4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}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

4361-0237

Molecular Formula

C11H8N2O4 (C11 H8 N2 O4)

Compound Name

4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}benzoic acid

IUPAC name

4-{[(4E)-25-dioxoimidazolidin-4-ylidene]methyl}benzoic acid

SMILES

OC(c1ccc(/C=C(\C(N2)=O)/NC2=O)cc1)=O

InChI

InChI=1S/C11H8N2O4/c14-9-8(12-11(17)13-9)5-6-1-3-7(4-2-6)10(15)16/h1-5H,(H,15,16)(H2,12,13,14,17)

InChI Key

WUTHPFGNYBVSDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00297802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.906

Distribution Coefficient, logD

-2.701

Water Solubility, LogSw

-1.66

Polar Surface Area

77.719

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4361-0237 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 4361-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4361-0237?
Check Price and Availability of 4361-0237, 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 4361-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4361-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4361-0237
  • 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 4361-0237 available by request