4998-2792 Screening compound: 3-(2,5-dimethyl-3-{[(4E)-1-{[(4-methylphenyl)carbamoyl]methyl}-2,5-dioxoimidazolidin-4-ylidene]methyl}-1H-pyrrol-1-yl)-2-methylbenzoic acid

4998-2792 Screening compound: 3-(2,5-dimethyl-3-{[(4E)-1-{[(4-methylphenyl)carbamoyl]methyl}-2,5-dioxoimidazolidin-4-ylidene]methyl}-1H-pyrrol-1-yl)-2-methylbenzoic acid
4998-2792 Screening compound: 3-(2,5-dimethyl-3-{[(4E)-1-{[(4-methylphenyl)carbamoyl]methyl}-2,5-dioxoimidazolidin-4-ylidene]methyl}-1H-pyrrol-1-yl)-2-methylbenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4998-2792
3-(2,5-dimethyl-3-{[(4E)-1-{[(4-methylphenyl)carbamoyl]methyl}-2,5-dioxoimidazolidin-4-ylidene]methyl}-1H-pyrrol-1-yl)-2-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

4998-2792

Molecular Formula

C27H26N4O5 (C27 H26 N4 O5)

Compound Name

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

IUPAC name

3-(25-dimethyl-3-{[(4E)-1-{[(4-methylphenyl)carbamoyl]methyl}-25-dioxoimidazolidin-4-ylidene]methyl}-1H-pyrrol-1-yl)-2-methylbenzoic acid

SMILES

Cc1cc(/C=C(\C(N2CC(Nc3ccc(C)cc3)=O)=O)/NC2=O)c(C)n1-c1c(C)c(C(O)=O)ccc1

InChI

InChI=1S/C27H26N4O5/c1-15-8-10-20(11-9-15)28-24(32)14-30-25(33)22(29-27(30)36)13-19-12-16(2)31(18(19)4)23-7-5-6-21(17(23)3)26(34)35/h5-13H,14H2,1-4H3,(H,28,32)(H,29,36)(H,34,35)

InChI Key

INJHASXSJPNZBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06150670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.53

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

4.019

Distribution Coefficient, logD

-0.590

Water Solubility, LogSw

-4.08

Polar Surface Area

94.592

Acid Dissociation Constant (pKa)

2.79

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

4998-2792 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4998-2792 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4998-2792?
Check Price and Availability of 4998-2792, 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 4998-2792 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4998-2792
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4998-2792
  • 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 4998-2792 available by request