G793-0156 Screening compound: ethyl 4-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

G793-0156 Screening compound: ethyl 4-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
G793-0156 Screening compound: ethyl 4-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G793-0156
ethyl 4-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)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

G793-0156

Molecular Formula

C20H24N2O5 (C20 H24 N2 O5)

Compound Name

ethyl 4-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-{2-[(23-dihydro-14-benzodioxin-6-yl)carbamoyl]ethyl}-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CCC(Nc(cc2)cc3c2OCCO3)=O)c(C)[nH]1)=O

InChI

InChI=1S/C20H24N2O5/c1-4-25-20(24)19-12(2)15(13(3)21-19)6-8-18(23)22-14-5-7-16-17(11-14)27-10-9-26-16/h5,7,11,21H,4,6,8-10H2,1-3H3,(H,22,23)

InChI Key

XGZVKBUHQNHZBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27158953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.237

Distribution Coefficient, logD

2.237

Water Solubility, LogSw

-2.88

Polar Surface Area

70.674

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G793-0156 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G793-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G793-0156?
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What is the minimum amount of G793-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G793-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G793-0156
  • 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 G793-0156 available by request