5340-0005 Screening compound: 3-{4-[(3-carboxyphenyl)amino]-2-(ethoxycarbonyl)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid

5340-0005 Screening compound: 3-{4-[(3-carboxyphenyl)amino]-2-(ethoxycarbonyl)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid
5340-0005 Screening compound: 3-{4-[(3-carboxyphenyl)amino]-2-(ethoxycarbonyl)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5340-0005
3-{4-[(3-carboxyphenyl)amino]-2-(ethoxycarbonyl)-2-methyl-5-oxo-2,5-dihydro-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

5340-0005

Molecular Formula

C22H20N2O7 (C22 H20 N2 O7)

Compound Name

3-{4-[(3-carboxyphenyl)amino]-2-(ethoxycarbonyl)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid

IUPAC name

3-{4-[(3-carboxyphenyl)amino]-2-(ethoxycarbonyl)-2-methyl-5-oxo-25-dihydro-1H-pyrrol-1-yl}benzoic acid

SMILES

CCOC(C(C)(C=C(C1=O)Nc2cc(C(O)=O)ccc2)N1c1cc(C(O)=O)ccc1)=O

InChI

InChI=1S/C22H20N2O7/c1-3-31-21(30)22(2)12-17(23-15-8-4-6-13(10-15)19(26)27)18(25)24(22)16-9-5-7-14(11-16)20(28)29/h4-12,23H,3H2,1-2H3,(H,26,27)(H,28,29)/t22-/m0/s1

InChI Key

WZJZGTFQLJFBRA-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02157593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.961

Distribution Coefficient, logD

1.075

Water Solubility, LogSw

-3.89

Polar Surface Area

103.405

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

2.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

5340-0005 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Structure:
  • Mimetics
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5340-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5340-0005?
Check Price and Availability of 5340-0005, 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 5340-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5340-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5340-0005
  • 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 5340-0005 available by request