G937-0533 Screening compound: ethyl 4-[(4-{[(4-fluorophenyl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate

G937-0533 Screening compound: ethyl 4-[(4-{[(4-fluorophenyl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
G937-0533 Screening compound: ethyl 4-[(4-{[(4-fluorophenyl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G937-0533
ethyl 4-[(4-{[(4-fluorophenyl)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

G937-0533

Molecular Formula

C23H30FN3O5S (C23 H30 FN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)n(C)c(C)c1S(N(CC1)CCC1C(NCc(cc1)ccc1F)=O)(=O)=O)=O

InChI

InChI=1S/C23H30FN3O5S/c1-5-32-23(29)20-15(2)26(4)16(3)21(20)33(30,31)27-12-10-18(11-13-27)22(28)25-14-17-6-8-19(24)9-7-17/h6-9,18H,5,10-14H2,1-4H3,(H,25,28)

InChI Key

SOIAAXNCVWWGOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27168256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.667

Distribution Coefficient, logD

1.667

Water Solubility, LogSw

-2.58

Polar Surface Area

79.895

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

G937-0533 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G937-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G937-0533?
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What is the minimum amount of G937-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G937-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G937-0533
  • 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 G937-0533 available by request