F258-0529 Screening compound: 3-chloro-4-methoxy-N-methyl-N-{2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl}benzene-1-sulfonamide

F258-0529 Screening compound: 3-chloro-4-methoxy-N-methyl-N-{2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl}benzene-1-sulfonamide
F258-0529 Screening compound: 3-chloro-4-methoxy-N-methyl-N-{2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F258-0529
3-chloro-4-methoxy-N-methyl-N-{2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl}benzene-1-sulfonamide

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

F258-0529

Molecular Formula

C19H20ClN3O4S (C19 H20 ClN3 O4 S)

Compound Name

3-chloro-4-methoxy-N-methyl-N-{2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl}benzene-1-sulfonamide

IUPAC name

3-chloro-4-methoxy-N-methyl-N-{2-[5-(3-methylphenyl)-124-oxadiazol-3-yl]ethyl}benzene-1-sulfonamide

SMILES

Cc1cccc(-c2nc(CCN(C)S(c(cc3)cc(Cl)c3OC)(=O)=O)no2)c1

InChI

InChI=1S/C19H20ClN3O4S/c1-13-5-4-6-14(11-13)19-21-18(22-27-19)9-10-23(2)28(24,25)15-7-8-17(26-3)16(20)12-15/h4-8,11-12H,9-10H2,1-3H3

InChI Key

CBISYYRCZBSYIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27110786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.983

Distribution Coefficient, logD

3.983

Water Solubility, LogSw

-4.42

Polar Surface Area

73.079

Acid Dissociation Constant (pKa)

27.92

Base Dissociation Constant (pKb)

-4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

F258-0529 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F258-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F258-0529?
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What is the minimum amount of F258-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F258-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F258-0529
  • 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 F258-0529 available by request