G793-0144 Screening compound: ethyl 4-{2-[(4-bromo-3-methylphenyl)carbamoyl]ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

G793-0144 Screening compound: ethyl 4-{2-[(4-bromo-3-methylphenyl)carbamoyl]ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
G793-0144 Screening compound: ethyl 4-{2-[(4-bromo-3-methylphenyl)carbamoyl]ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G793-0144
ethyl 4-{2-[(4-bromo-3-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

G793-0144

Molecular Formula

C19H23BrN2O3 (C19 H23 BrN2 O3)

Compound Name

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

IUPAC name

ethyl 4-{2-[(4-bromo-3-methylphenyl)carbamoyl]ethyl}-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CCC(Nc(cc2)cc(C)c2Br)=O)c(C)[nH]1)=O

InChI

InChI=1S/C19H23BrN2O3/c1-5-25-19(24)18-12(3)15(13(4)21-18)7-9-17(23)22-14-6-8-16(20)11(2)10-14/h6,8,10,21H,5,7,9H2,1-4H3,(H,22,23)

InChI Key

AIVWSCGYBYKWQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27158946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.439

Distribution Coefficient, logD

4.439

Water Solubility, LogSw

-4.27

Polar Surface Area

54.851

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

G793-0144 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

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

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G793-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G793-0144?
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What is the minimum amount of G793-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G793-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G793-0144
  • 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 G793-0144 available by request