G937-0453 Screening compound: ethyl 4-[(4-{[(furan-2-yl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate

G937-0453 Screening compound: ethyl 4-[(4-{[(furan-2-yl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
G937-0453 Screening compound: ethyl 4-[(4-{[(furan-2-yl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G937-0453
ethyl 4-[(4-{[(furan-2-yl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-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

G937-0453

Molecular Formula

C21H29N3O6S (C21 H29 N3 O6 S)

Compound Name

ethyl 4-[(4-{[(furan-2-yl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 4-[(4-{[(furan-2-yl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-125-trimethyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)n(C)c(C)c1S(N(CC1)CCC1C(NCc1ccco1)=O)(=O)=O)=O

InChI

InChI=1S/C21H29N3O6S/c1-5-29-21(26)18-14(2)23(4)15(3)19(18)31(27,28)24-10-8-16(9-11-24)20(25)22-13-17-7-6-12-30-17/h6-7,12,16H,5,8-11,13H2,1-4H3,(H,22,25)

InChI Key

PLTJTTBZOWYGDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27168228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.388

Distribution Coefficient, logD

1.388

Water Solubility, LogSw

-2.35

Polar Surface Area

87.644

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

G937-0453 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with G937-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G937-0453?
Check Price and Availability of G937-0453, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G937-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G937-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G937-0453
  • 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 G937-0453 available by request