G008-5517 Screening compound: 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-({1-[(2-methoxyphenyl)methyl]piperidin-4-yl}methyl)benzene-1-sulfonamide

G008-5517 Screening compound: 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-({1-[(2-methoxyphenyl)methyl]piperidin-4-yl}methyl)benzene-1-sulfonamide
G008-5517 Screening compound: 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-({1-[(2-methoxyphenyl)methyl]piperidin-4-yl}methyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-5517
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-({1-[(2-methoxyphenyl)methyl]piperidin-4-yl}methyl)benzene-1-sulfonamide

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

G008-5517

Molecular Formula

C26H33N3O5S (C26 H33 N3 O5 S)

Compound Name

5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-({1-[(2-methoxyphenyl)methyl]piperidin-4-yl}methyl)benzene-1-sulfonamide

IUPAC name

5-(34-dimethyl-12-oxazol-5-yl)-2-methoxy-N-({1-[(2-methoxyphenyl)methyl]piperidin-4-yl}methyl)benzene-1-sulfonamide

SMILES

Cc1c(-c(cc2)cc(S(NCC3CCN(Cc(cccc4)c4OC)CC3)(=O)=O)c2OC)onc1C

InChI

InChI=1S/C26H33N3O5S/c1-18-19(2)28-34-26(18)21-9-10-24(33-4)25(15-21)35(30,31)27-16-20-11-13-29(14-12-20)17-22-7-5-6-8-23(22)32-3/h5-10,15,20,27H,11-14,16-17H2,1-4H3

InChI Key

MSXFLKFXDOYPRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14976328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.63

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

4.590

Distribution Coefficient, logD

2.807

Water Solubility, LogSw

-4.40

Polar Surface Area

83.335

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

G008-5517 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 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 G008-5517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-5517?
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What is the minimum amount of G008-5517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-5517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-5517
  • 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 G008-5517 available by request