C721-0701 Screening compound: ethyl 2-methyl-5-(4-methylphenyl)-1-(2-{[2-(4-methylphenyl)ethyl]carbamoyl}ethyl)-1H-pyrrole-3-carboxylate

C721-0701 Screening compound: ethyl 2-methyl-5-(4-methylphenyl)-1-(2-{[2-(4-methylphenyl)ethyl]carbamoyl}ethyl)-1H-pyrrole-3-carboxylate
C721-0701 Screening compound: ethyl 2-methyl-5-(4-methylphenyl)-1-(2-{[2-(4-methylphenyl)ethyl]carbamoyl}ethyl)-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C721-0701
ethyl 2-methyl-5-(4-methylphenyl)-1-(2-{[2-(4-methylphenyl)ethyl]carbamoyl}ethyl)-1H-pyrrole-3-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

C721-0701

Molecular Formula

C27H32N2O3 (C27 H32 N2 O3)

Compound Name

ethyl 2-methyl-5-(4-methylphenyl)-1-(2-{[2-(4-methylphenyl)ethyl]carbamoyl}ethyl)-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 2-methyl-5-(4-methylphenyl)-1-(2-{[2-(4-methylphenyl)ethyl]carbamoyl}ethyl)-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)n(CCC(NCCc2ccc(C)cc2)=O)c(-c2ccc(C)cc2)c1)=O

InChI

InChI=1S/C27H32N2O3/c1-5-32-27(31)24-18-25(23-12-8-20(3)9-13-23)29(21(24)4)17-15-26(30)28-16-14-22-10-6-19(2)7-11-22/h6-13,18H,5,14-17H2,1-4H3,(H,28,30)

InChI Key

ZEFDJZVYUJKGDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.299

Distribution Coefficient, logD

5.299

Water Solubility, LogSw

-5.22

Polar Surface Area

45.963

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C721-0701 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 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 C721-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C721-0701?
Check Price and Availability of C721-0701, 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 C721-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C721-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C721-0701
  • 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 C721-0701 available by request