C793-0282 Screening compound: ethyl 3-hydroxy-4,5-dimethyl-1H-pyrrole-2-carboxylate

C793-0282 Screening compound: ethyl 3-hydroxy-4,5-dimethyl-1H-pyrrole-2-carboxylate
C793-0282 Screening compound: ethyl 3-hydroxy-4,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C793-0282
ethyl 3-hydroxy-4,5-dimethyl-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

C793-0282

Molecular Formula

C9H13NO3 (C9 H13 NO3)

Compound Name

ethyl 3-hydroxy-4,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 3-hydroxy-45-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c([nH]c(C)c1C)c1O)=O

InChI

InChI=1S/C9H13NO3/c1-4-13-9(12)7-8(11)5(2)6(3)10-7/h10-11H,4H2,1-3H3

InChI Key

TZZSFMKDEHNICU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14280404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

183.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.785

Distribution Coefficient, logD

1.784

Water Solubility, LogSw

-1.38

Polar Surface Area

47.453

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

-4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C793-0282 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C793-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C793-0282?
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What is the minimum amount of C793-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C793-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C793-0282
  • 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 C793-0282 available by request