C721-0045 Screening compound: ethyl 1-[(cyclohexylcarbamoyl)methyl]-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate

C721-0045 Screening compound: ethyl 1-[(cyclohexylcarbamoyl)methyl]-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate
C721-0045 Screening compound: ethyl 1-[(cyclohexylcarbamoyl)methyl]-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C721-0045
ethyl 1-[(cyclohexylcarbamoyl)methyl]-2,4-dimethyl-5-phenyl-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

C721-0045

Molecular Formula

C23H30N2O3 (C23 H30 N2 O3)

Compound Name

ethyl 1-[(cyclohexylcarbamoyl)methyl]-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 1-[(cyclohexylcarbamoyl)methyl]-24-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)n(CC(NC2CCCCC2)=O)c(-c2ccccc2)c1C)=O

InChI

InChI=1S/C23H30N2O3/c1-4-28-23(27)21-16(2)22(18-11-7-5-8-12-18)25(17(21)3)15-20(26)24-19-13-9-6-10-14-19/h5,7-8,11-12,19H,4,6,9-10,13-15H2,1-3H3,(H,24,26)

InChI Key

BODWQUTUYJEHLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.393

Distribution Coefficient, logD

4.393

Water Solubility, LogSw

-4.21

Polar Surface Area

45.644

Acid Dissociation Constant (pKa)

15.35

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

C721-0045 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C721-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C721-0045?
Check Price and Availability of C721-0045, 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 C721-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C721-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C721-0045
  • 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 C721-0045 available by request