C520-0338 Screening compound: 4-benzyl-1-{5-[(4-bromobenzenesulfinyl)methyl]furan-2-carbonyl}piperidine

C520-0338 Screening compound: 4-benzyl-1-{5-[(4-bromobenzenesulfinyl)methyl]furan-2-carbonyl}piperidine
C520-0338 Screening compound: 4-benzyl-1-{5-[(4-bromobenzenesulfinyl)methyl]furan-2-carbonyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C520-0338
4-benzyl-1-{5-[(4-bromobenzenesulfinyl)methyl]furan-2-carbonyl}piperidine

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

C520-0338

Molecular Formula

C24H24BrNO3S (C24 H24 BrNO3 S)

Compound Name

4-benzyl-1-{5-[(4-bromobenzenesulfinyl)methyl]furan-2-carbonyl}piperidine

IUPAC name

4-benzyl-1-{5-[(4-bromobenzenesulfinyl)methyl]furan-2-carbonyl}piperidine

SMILES

O=C(c1ccc(CS(c(cc2)ccc2Br)=O)o1)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C24H26BrNO3S/c25-20-6-9-22(10-7-20)30(28)17-21-8-11-23(29-21)24(27)26-14-12-19(13-15-26)16-18-4-2-1-3-5-18/h1-11,19H,12-17,30H2

InChI Key

FWTVTTAUEXQWIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.761

Distribution Coefficient, logD

5.761

Water Solubility, LogSw

-5.90

Polar Surface Area

39.597

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C520-0338 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C520-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C520-0338?
Check Price and Availability of C520-0338, 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 C520-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C520-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C520-0338
  • 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 C520-0338 available by request