4998-1325 Screening compound: 3-[(2-{[(4E)-1-{[(4-methylphenyl)carbamoyl]methyl}-2,5-dioxoimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzoic acid

4998-1325 Screening compound: 3-[(2-{[(4E)-1-{[(4-methylphenyl)carbamoyl]methyl}-2,5-dioxoimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzoic acid
4998-1325 Screening compound: 3-[(2-{[(4E)-1-{[(4-methylphenyl)carbamoyl]methyl}-2,5-dioxoimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4998-1325
3-[(2-{[(4E)-1-{[(4-methylphenyl)carbamoyl]methyl}-2,5-dioxoimidazolidin-4-ylidene]methyl}phenoxy)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

4998-1325

Molecular Formula

C27H23N3O6 (C27 H23 N3 O6)

Compound Name

3-[(2-{[(4E)-1-{[(4-methylphenyl)carbamoyl]methyl}-2,5-dioxoimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzoic acid

IUPAC name

3-[(2-{[(4E)-1-{[(4-methylphenyl)carbamoyl]methyl}-25-dioxoimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzoic acid

SMILES

Cc(cc1)ccc1NC(CN(C(/C(/N1)=C\c(cccc2)c2OCc2cc(C(O)=O)ccc2)=O)C1=O)=O

InChI

InChI=1S/C27H23N3O6/c1-17-9-11-21(12-10-17)28-24(31)15-30-25(32)22(29-27(30)35)14-19-6-2-3-8-23(19)36-16-18-5-4-7-20(13-18)26(33)34/h2-14H,15-16H2,1H3,(H,28,31)(H,29,35)(H,33,34)

InChI Key

GPAUNLLZYZCXCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03699957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.807

Distribution Coefficient, logD

1.910

Water Solubility, LogSw

-4.50

Polar Surface Area

99.542

Acid Dissociation Constant (pKa)

4.50

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4998-1325 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4998-1325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4998-1325?
Check Price and Availability of 4998-1325, 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 4998-1325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4998-1325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4998-1325
  • 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 4998-1325 available by request