G793-0235 Screening compound: ethyl 4-{3-[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]-3-oxopropyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

G793-0235 Screening compound: ethyl 4-{3-[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]-3-oxopropyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
G793-0235 Screening compound: ethyl 4-{3-[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]-3-oxopropyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G793-0235
ethyl 4-{3-[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]-3-oxopropyl}-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

G793-0235

Molecular Formula

C16H24N2O5S (C16 H24 N2 O5 S)

Compound Name

ethyl 4-{3-[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]-3-oxopropyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-{2-[(11-dioxo-1lambda6-thiolan-3-yl)carbamoyl]ethyl}-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CCC(NC(CC2)CS2(=O)=O)=O)c(C)[nH]1)=O

InChI

InChI=1S/C16H24N2O5S/c1-4-23-16(20)15-10(2)13(11(3)17-15)5-6-14(19)18-12-7-8-24(21,22)9-12/h12,17H,4-9H2,1-3H3,(H,18,19)/t12-/m1/s1

InChI Key

VHNRMUOFGWCRLW-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.666

Distribution Coefficient, logD

0.666

Water Solubility, LogSw

-1.63

Polar Surface Area

84.336

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

G793-0235 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

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

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with G793-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G793-0235?
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What is the minimum amount of G793-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G793-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G793-0235
  • 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 G793-0235 available by request