F531-0039 Screening compound: N-(2-{4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-2-oxoethyl)benzenesulfonamide

F531-0039 Screening compound: N-(2-{4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-2-oxoethyl)benzenesulfonamide
F531-0039 Screening compound: N-(2-{4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-2-oxoethyl)benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F531-0039
N-(2-{4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-2-oxoethyl)benzenesulfonamide

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

F531-0039

Molecular Formula

C21H23N5O4S (C21 H23 N5 O4 S)

Compound Name

N-(2-{4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-2-oxoethyl)benzenesulfonamide

IUPAC name

N-(2-{4-[4-(5-methyl-124-oxadiazol-3-yl)phenyl]piperazin-1-yl}-2-oxoethyl)benzenesulfonamide

SMILES

Cc1nc(-c(cc2)ccc2N(CC2)CCN2C(CNS(c2ccccc2)(=O)=O)=O)no1

InChI

InChI=1S/C21H23N5O4S/c1-16-23-21(24-30-16)17-7-9-18(10-8-17)25-11-13-26(14-12-25)20(27)15-22-31(28,29)19-5-3-2-4-6-19/h2-10,22H,11-15H2,1H3

InChI Key

CGJBLGOTGMYCSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27172622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.503

Distribution Coefficient, logD

2.502

Water Solubility, LogSw

-2.90

Polar Surface Area

92.555

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F531-0039 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F531-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F531-0039?
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What is the minimum amount of F531-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F531-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F531-0039
  • 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 F531-0039 available by request