G793-0281 Screening compound: ethyl 4-[2-({[4-(dimethylamino)phenyl]methyl}carbamoyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

G793-0281 Screening compound: ethyl 4-[2-({[4-(dimethylamino)phenyl]methyl}carbamoyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
G793-0281 Screening compound: ethyl 4-[2-({[4-(dimethylamino)phenyl]methyl}carbamoyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G793-0281
ethyl 4-[2-({[4-(dimethylamino)phenyl]methyl}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

G793-0281

Molecular Formula

C21H29N3O3 (C21 H29 N3 O3)

Compound Name

ethyl 4-[2-({[4-(dimethylamino)phenyl]methyl}carbamoyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-[2-({[4-(dimethylamino)phenyl]methyl}carbamoyl)ethyl]-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CCC(NCc(cc2)ccc2N(C)C)=O)c(C)[nH]1)=O

InChI

InChI=1S/C21H29N3O3/c1-6-27-21(26)20-14(2)18(15(3)23-20)11-12-19(25)22-13-16-7-9-17(10-8-16)24(4)5/h7-10,23H,6,11-13H2,1-5H3,(H,22,25)

InChI Key

SANYUMFMUKUXFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27158994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.055

Distribution Coefficient, logD

3.039

Water Solubility, LogSw

-3.19

Polar Surface Area

58.978

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

G793-0281 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G793-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G793-0281?
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What is the minimum amount of G793-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G793-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G793-0281
  • 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 G793-0281 available by request