4998-2302 Screening compound: 4-(2,5-dimethyl-3-{[(4E)-1-{[(4-methylphenyl)carbamoyl]methyl}-2,5-dioxoimidazolidin-4-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid

4998-2302 Screening compound: 4-(2,5-dimethyl-3-{[(4E)-1-{[(4-methylphenyl)carbamoyl]methyl}-2,5-dioxoimidazolidin-4-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
4998-2302 Screening compound: 4-(2,5-dimethyl-3-{[(4E)-1-{[(4-methylphenyl)carbamoyl]methyl}-2,5-dioxoimidazolidin-4-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4998-2302
4-(2,5-dimethyl-3-{[(4E)-1-{[(4-methylphenyl)carbamoyl]methyl}-2,5-dioxoimidazolidin-4-ylidene]methyl}-1H-pyrrol-1-yl)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

4998-2302

Molecular Formula

C26H24N4O5 (C26 H24 N4 O5)

Compound Name

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

IUPAC name

4-(25-dimethyl-3-{[(4E)-1-{[(4-methylphenyl)carbamoyl]methyl}-25-dioxoimidazolidin-4-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid

SMILES

Cc1cc(/C=C(\C(N2CC(Nc3ccc(C)cc3)=O)=O)/NC2=O)c(C)n1-c(cc1)ccc1C(O)=O

InChI

InChI=1S/C26H24N4O5/c1-15-4-8-20(9-5-15)27-23(31)14-29-24(32)22(28-26(29)35)13-19-12-16(2)30(17(19)3)21-10-6-18(7-11-21)25(33)34/h4-13H,14H2,1-3H3,(H,27,31)(H,28,35)(H,33,34)

InChI Key

IGBFDMWQCSCKOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06666020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.850

Distribution Coefficient, logD

0.964

Water Solubility, LogSw

-3.91

Polar Surface Area

94.893

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

4998-2302 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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 4998-2302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4998-2302?
Check Price and Availability of 4998-2302, 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 4998-2302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4998-2302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4998-2302
  • 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 4998-2302 available by request