C722-0023 Screening compound: ethyl 3,5-dimethyl-4-(3-methylpiperidine-1-carbonyl)-1H-pyrrole-2-carboxylate

C722-0023 Screening compound: ethyl 3,5-dimethyl-4-(3-methylpiperidine-1-carbonyl)-1H-pyrrole-2-carboxylate
C722-0023 Screening compound: ethyl 3,5-dimethyl-4-(3-methylpiperidine-1-carbonyl)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C722-0023
ethyl 3,5-dimethyl-4-(3-methylpiperidine-1-carbonyl)-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

C722-0023

Molecular Formula

C16H24N2O3 (C16 H24 N2 O3)

Compound Name

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

IUPAC name

ethyl 35-dimethyl-4-(3-methylpiperidine-1-carbonyl)-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(C(N2CC(C)CCC2)=O)c(C)[nH]1)=O

InChI

InChI=1S/C16H24N2O3/c1-5-21-16(20)14-11(3)13(12(4)17-14)15(19)18-8-6-7-10(2)9-18/h10,17H,5-9H2,1-4H3/t10-/m0/s1

InChI Key

JXAYIDBCDWIKHI-JTQLQIEISA-N

MDL Number (MFCD)

MFCD05714192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.600

Distribution Coefficient, logD

2.600

Water Solubility, LogSw

-2.76

Polar Surface Area

48.555

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

C722-0023 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C722-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C722-0023?
Check Price and Availability of C722-0023, 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 C722-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C722-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C722-0023
  • 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 C722-0023 available by request