C722-0529 Screening compound: ethyl 1-ethyl-3,5-dimethyl-4-(propylcarbamoyl)-1H-pyrrole-2-carboxylate

C722-0529 Screening compound: ethyl 1-ethyl-3,5-dimethyl-4-(propylcarbamoyl)-1H-pyrrole-2-carboxylate
C722-0529 Screening compound: ethyl 1-ethyl-3,5-dimethyl-4-(propylcarbamoyl)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C722-0529
ethyl 1-ethyl-3,5-dimethyl-4-(propylcarbamoyl)-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

C722-0529

Molecular Formula

C15H24N2O3 (C15 H24 N2 O3)

Compound Name

ethyl 1-ethyl-3,5-dimethyl-4-(propylcarbamoyl)-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 1-ethyl-35-dimethyl-4-(propylcarbamoyl)-1H-pyrrole-2-carboxylate

SMILES

CCCNC(c1c(C)n(CC)c(C(OCC)=O)c1C)=O

InChI

InChI=1S/C15H24N2O3/c1-6-9-16-14(18)12-10(4)13(15(19)20-8-3)17(7-2)11(12)5/h6-9H2,1-5H3,(H,16,18)

InChI Key

MRGZIDOETUSAQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.37

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

2.316

Distribution Coefficient, logD

2.316

Water Solubility, LogSw

-2.24

Polar Surface Area

46.242

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

C722-0529 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C722-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C722-0529?
Check Price and Availability of C722-0529, 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 C722-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C722-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C722-0529
  • 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 C722-0529 available by request