C523-0820 Screening compound: 2-({[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[4-(2-pyridyl)piperazino]-1-ethanone

C523-0820 Screening compound: 2-({[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[4-(2-pyridyl)piperazino]-1-ethanone
C523-0820 Screening compound: 2-({[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[4-(2-pyridyl)piperazino]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C523-0820
2-({[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[4-(2-pyridyl)piperazino]-1-ethanone

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

C523-0820

Molecular Formula

C23H26N4O2S (C23 H26 N4 O2 S)

Compound Name

2-({[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[4-(2-pyridyl)piperazino]-1-ethanone

IUPAC name

2-({[5-methyl-2-(2-methylphenyl)-13-oxazol-4-yl]methyl}sulfanyl)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

SMILES

Cc1c(CSCC(N(CC2)CCN2c2ncccc2)=O)nc(-c2c(C)cccc2)o1

InChI

InChI=1S/C23H26N4O2S/c1-17-7-3-4-8-19(17)23-25-20(18(2)29-23)15-30-16-22(28)27-13-11-26(12-14-27)21-9-5-6-10-24-21/h3-10H,11-16H2,1-2H3

InChI Key

LFCBBFPFQXNSEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14766159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.179

Distribution Coefficient, logD

4.171

Water Solubility, LogSw

-4.32

Polar Surface Area

46.253

Acid Dissociation Constant (pKa)

23.80

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

C523-0820 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C523-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C523-0820?
Check Price and Availability of C523-0820, 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 C523-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C523-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C523-0820
  • 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 C523-0820 available by request