C527-2090 Screening compound: N~1~-[3-(3,5-dimethylpiperidino)propyl]-2-({[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}sulfinyl)acetamide

C527-2090 Screening compound: N~1~-[3-(3,5-dimethylpiperidino)propyl]-2-({[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}sulfinyl)acetamide
C527-2090 Screening compound: N~1~-[3-(3,5-dimethylpiperidino)propyl]-2-({[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}sulfinyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C527-2090
N~1~-[3-(3,5-dimethylpiperidino)propyl]-2-({[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}sulfinyl)acetamide

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

C527-2090

Molecular Formula

C21H31N3O3S2 (C21 H31 N3 O3 S2)

Compound Name

N~1~-[3-(3,5-dimethylpiperidino)propyl]-2-({[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}sulfinyl)acetamide

IUPAC name

n/a

SMILES

CC1CN(CCCNC(CS(Cc2c(C)oc(-c3cccs3)n2)=O)=O)CC(C)C1

InChI

InChI=1S/C21H33N3O3S2/c1-15-10-16(2)12-24(11-15)8-5-7-22-20(25)14-29(26)13-18-17(3)27-21(23-18)19-6-4-9-28-19/h4,6,9,15-16H,5,7-8,10-14,29H2,1-3H3,(H,22,25)

InChI Key

PRYXZRZKABUTIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14766859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.552

Distribution Coefficient, logD

-0.053

Water Solubility, LogSw

-2.79

Polar Surface Area

62.314

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.90

C527-2090 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

GPCR Targeted Library (31838 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
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 C527-2090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C527-2090?
Check Price and Availability of C527-2090, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C527-2090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C527-2090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C527-2090
  • 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 C527-2090 available by request