C721-0057 Screening compound: ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate

C721-0057 Screening compound: ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate
C721-0057 Screening compound: ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C721-0057
ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-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

C721-0057

Molecular Formula

C24H32N2O3 (C24 H32 N2 O3)

Compound Name

ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 1-[2-(26-dimethylpiperidin-1-yl)-2-oxoethyl]-24-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)n(CC(N2C(C)CCCC2C)=O)c(-c2ccccc2)c1C)=O

InChI

InChI=1S/C24H32N2O3/c1-6-29-24(28)22-18(4)23(20-13-8-7-9-14-20)25(19(22)5)15-21(27)26-16(2)11-10-12-17(26)3/h7-9,13-14,16-17H,6,10-12,15H2,1-5H3

InChI Key

HZEKQRONDLFFLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.138

Distribution Coefficient, logD

4.138

Water Solubility, LogSw

-4.12

Polar Surface Area

36.064

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C721-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C721-0057?
Check Price and Availability of C721-0057, 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 C721-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C721-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C721-0057
  • 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 C721-0057 available by request