G937-0535 Screening compound: ethyl 1,2,5-trimethyl-4-[(4-{[4-(propan-2-yl)phenyl]carbamoyl}piperidin-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate

G937-0535 Screening compound: ethyl 1,2,5-trimethyl-4-[(4-{[4-(propan-2-yl)phenyl]carbamoyl}piperidin-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate
G937-0535 Screening compound: ethyl 1,2,5-trimethyl-4-[(4-{[4-(propan-2-yl)phenyl]carbamoyl}piperidin-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G937-0535
ethyl 1,2,5-trimethyl-4-[(4-{[4-(propan-2-yl)phenyl]carbamoyl}piperidin-1-yl)sulfonyl]-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

G937-0535

Molecular Formula

C25H35N3O5S (C25 H35 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)n(C)c(C)c1S(N(CC1)CCC1C(Nc1ccc(C(C)C)cc1)=O)(=O)=O)=O

InChI

InChI=1S/C25H35N3O5S/c1-7-33-25(30)22-17(4)27(6)18(5)23(22)34(31,32)28-14-12-20(13-15-28)24(29)26-21-10-8-19(9-11-21)16(2)3/h8-11,16,20H,7,12-15H2,1-6H3,(H,26,29)

InChI Key

KHVWXPIONUBHLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27168257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.64

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

3.287

Distribution Coefficient, logD

3.287

Water Solubility, LogSw

-3.43

Polar Surface Area

78.573

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

G937-0535 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G937-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G937-0535?
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What is the minimum amount of G937-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G937-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G937-0535
  • 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 G937-0535 available by request