C722-0424 Screening compound: ethyl 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

C722-0424 Screening compound: ethyl 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
C722-0424 Screening compound: ethyl 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C722-0424
ethyl 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

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

C722-0424

Molecular Formula

C19H22N2O5 (C19 H22 N2 O5)

Compound Name

ethyl 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-[(23-dihydro-14-benzodioxin-6-yl)carbamoyl]-135-trimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(C(Nc(cc2)cc3c2OCCO3)=O)c(C)n1C)=O

InChI

InChI=1S/C19H22N2O5/c1-5-24-19(23)17-11(2)16(12(3)21(17)4)18(22)20-13-6-7-14-15(10-13)26-9-8-25-14/h6-7,10H,5,8-9H2,1-4H3,(H,20,22)

InChI Key

DOOHVLBOHCTQNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04472567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.905

Distribution Coefficient, logD

1.900

Water Solubility, LogSw

-2.67

Polar Surface Area

61.715

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

C722-0424 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C722-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C722-0424?
Check Price and Availability of C722-0424, 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 C722-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C722-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C722-0424
  • 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 C722-0424 available by request