G793-0187 Screening compound: ethyl 4-{2-[(2-methoxy-5-methylphenyl)carbamoyl]ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

G793-0187 Screening compound: ethyl 4-{2-[(2-methoxy-5-methylphenyl)carbamoyl]ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
G793-0187 Screening compound: ethyl 4-{2-[(2-methoxy-5-methylphenyl)carbamoyl]ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G793-0187
ethyl 4-{2-[(2-methoxy-5-methylphenyl)carbamoyl]ethyl}-3,5-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

G793-0187

Molecular Formula

C20H26N2O4 (C20 H26 N2 O4)

Compound Name

ethyl 4-{2-[(2-methoxy-5-methylphenyl)carbamoyl]ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-{2-[(2-methoxy-5-methylphenyl)carbamoyl]ethyl}-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CCC(Nc(cc(C)cc2)c2OC)=O)c(C)[nH]1)=O

InChI

InChI=1S/C20H26N2O4/c1-6-26-20(24)19-13(3)15(14(4)21-19)8-10-18(23)22-16-11-12(2)7-9-17(16)25-5/h7,9,11,21H,6,8,10H2,1-5H3,(H,22,23)

InChI Key

BSYKTEAOBLIVQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27158968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.101

Distribution Coefficient, logD

3.101

Water Solubility, LogSw

-3.18

Polar Surface Area

61.784

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G793-0187 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G793-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G793-0187?
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What is the minimum amount of G793-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G793-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G793-0187
  • 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 G793-0187 available by request