G726-1333 Screening compound: ethyl 2,4-dimethyl-5-(2-{[4-(4-methylpiperidin-1-yl)phenyl]carbamoyl}ethyl)-1H-pyrrole-3-carboxylate

G726-1333 Screening compound: ethyl 2,4-dimethyl-5-(2-{[4-(4-methylpiperidin-1-yl)phenyl]carbamoyl}ethyl)-1H-pyrrole-3-carboxylate
G726-1333 Screening compound: ethyl 2,4-dimethyl-5-(2-{[4-(4-methylpiperidin-1-yl)phenyl]carbamoyl}ethyl)-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G726-1333
ethyl 2,4-dimethyl-5-(2-{[4-(4-methylpiperidin-1-yl)phenyl]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

G726-1333

Molecular Formula

C24H33N3O3 (C24 H33 N3 O3)

Compound Name

ethyl 2,4-dimethyl-5-(2-{[4-(4-methylpiperidin-1-yl)phenyl]carbamoyl}ethyl)-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 24-dimethyl-5-(2-{[4-(4-methylpiperidin-1-yl)phenyl]carbamoyl}ethyl)-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(CCC(Nc(cc2)ccc2N2CCC(C)CC2)=O)c1C)=O

InChI

InChI=1S/C24H33N3O3/c1-5-30-24(29)23-17(3)21(25-18(23)4)10-11-22(28)26-19-6-8-20(9-7-19)27-14-12-16(2)13-15-27/h6-9,16,25H,5,10-15H2,1-4H3,(H,26,28)

InChI Key

HNSUVKISDHLTPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27154441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.141

Distribution Coefficient, logD

4.124

Water Solubility, LogSw

-4.16

Polar Surface Area

58.799

Acid Dissociation Constant (pKa)

12.07

Base Dissociation Constant (pKb)

9.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G726-1333 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G726-1333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G726-1333?
Check Price and Availability of G726-1333, 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 G726-1333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G726-1333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G726-1333
  • 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 G726-1333 available by request