G637-0823 Screening compound: 1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-N-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)piperidine-4-carboxamide

G637-0823 Screening compound: 1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-N-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)piperidine-4-carboxamide
G637-0823 Screening compound: 1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-N-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G637-0823
1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-N-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}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

G637-0823

Molecular Formula

C31H40N4O4S2 (C31 H40 N4 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(/C=C/c2ccc(C)cc2)c1S(N(CC1)CCC1C(NCC1CCN(CCc2cccs2)CC1)=O)(=O)=O

InChI

InChI=1S/C31H40N4O4S2/c1-23-5-7-25(8-6-23)9-10-29-30(24(2)33-39-29)41(37,38)35-19-13-27(14-20-35)31(36)32-22-26-11-16-34(17-12-26)18-15-28-4-3-21-40-28/h3-10,21,26-27H,11-20,22H2,1-2H3,(H,32,36)

InChI Key

VSAWZQSFTITJNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15024276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.82

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.779

Distribution Coefficient, logD

2.819

Water Solubility, LogSw

-4.37

Polar Surface Area

82.608

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

9.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.40

G637-0823 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G637-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G637-0823?
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What is the minimum amount of G637-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G637-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G637-0823
  • 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 G637-0823 available by request