C793-0281 Screening compound: methyl 1,2-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate

C793-0281 Screening compound: methyl 1,2-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate
C793-0281 Screening compound: methyl 1,2-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C793-0281
methyl 1,2-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

C793-0281

Molecular Formula

C14H15NO2 (C14 H15 NO2)

Compound Name

methyl 1,2-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate

IUPAC name

methyl 12-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate

SMILES

Cc(n(C)c(-c1ccccc1)c1)c1C(OC)=O

InChI

InChI=1S/C14H15NO2/c1-10-12(14(16)17-3)9-13(15(10)2)11-7-5-4-6-8-11/h4-9H,1-3H3

InChI Key

FYKKINOAOXEGCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

229.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.057

Distribution Coefficient, logD

3.057

Water Solubility, LogSw

-3.38

Polar Surface Area

23.173

Acid Dissociation Constant (pKa)

30.13

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C793-0281 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

GABA Library (7115 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with C793-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C793-0281?
Check Price and Availability of C793-0281, 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 C793-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C793-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C793-0281
  • 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 C793-0281 available by request