C520-0127 Screening compound: 1-{5-[(4-methylbenzenesulfinyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine

C520-0127 Screening compound: 1-{5-[(4-methylbenzenesulfinyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine
C520-0127 Screening compound: 1-{5-[(4-methylbenzenesulfinyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C520-0127
1-{5-[(4-methylbenzenesulfinyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine

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

C520-0127

Molecular Formula

C22H23N3O3S (C22 H23 N3 O3 S)

Compound Name

1-{5-[(4-methylbenzenesulfinyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine

IUPAC name

1-{5-[(4-methylbenzenesulfinyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine

SMILES

Cc(cc1)ccc1S(Cc1ccc(C(N(CC2)CCN2c2ncccc2)=O)o1)=O

InChI

InChI=1S/C22H25N3O3S/c1-17-5-8-19(9-6-17)29(27)16-18-7-10-20(28-18)22(26)25-14-12-24(13-15-25)21-4-2-3-11-23-21/h2-11H,12-16,29H2,1H3

InChI Key

XAQYYTFBSOJECE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.682

Distribution Coefficient, logD

3.673

Water Solubility, LogSw

-3.75

Polar Surface Area

51.640

Acid Dissociation Constant (pKa)

24.77

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C520-0127 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C520-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C520-0127?
Check Price and Availability of C520-0127, 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 C520-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C520-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C520-0127
  • 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 C520-0127 available by request