G637-0573 Screening compound: N-(3-cyanophenyl)-1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carboxamide

G637-0573 Screening compound: N-(3-cyanophenyl)-1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carboxamide
G637-0573 Screening compound: N-(3-cyanophenyl)-1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G637-0573
N-(3-cyanophenyl)-1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)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

G637-0573

Molecular Formula

C26H26N4O4S (C26 H26 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(/C=C/c2ccc(C)cc2)c1S(N(CC1)CCC1C(Nc1cc(C#N)ccc1)=O)(=O)=O

InChI

InChI=1S/C26H26N4O4S/c1-18-6-8-20(9-7-18)10-11-24-25(19(2)29-34-24)35(32,33)30-14-12-22(13-15-30)26(31)28-23-5-3-4-21(16-23)17-27/h3-11,16,22H,12-15H2,1-2H3,(H,28,31)

InChI Key

SRSYDSOHLVEPEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15024173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.833

Distribution Coefficient, logD

3.832

Water Solubility, LogSw

-3.86

Polar Surface Area

93.612

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

G637-0573 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G637-0573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G637-0573?
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What is the minimum amount of G637-0573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G637-0573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G637-0573
  • 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 G637-0573 available by request