G637-0798 Screening compound: 1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide

G637-0798 Screening compound: 1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
G637-0798 Screening compound: 1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G637-0798
1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide

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

G637-0798

Molecular Formula

C27H31N3O4S (C27 H31 N3 O4 S)

Compound Name

1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide

IUPAC name

1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-12-oxazol-4-yl}sulfonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide

SMILES

Cc1noc(/C=C/c2ccc(C)cc2)c1S(N(CC1)CCC1C(NCc1cc(C)ccc1)=O)(=O)=O

InChI

InChI=1S/C27H31N3O4S/c1-19-7-9-22(10-8-19)11-12-25-26(21(3)29-34-25)35(32,33)30-15-13-24(14-16-30)27(31)28-18-23-6-4-5-20(2)17-23/h4-12,17,24H,13-16,18H2,1-3H3,(H,28,31)

InChI Key

QSQNDNBUWHDHCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15024269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.349

Distribution Coefficient, logD

4.349

Water Solubility, LogSw

-4.24

Polar Surface Area

77.878

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G637-0798 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G637-0798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G637-0798?
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What is the minimum amount of G637-0798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G637-0798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G637-0798
  • 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 G637-0798 available by request