SC41-0120 Screening compound: 3,5-dimethyl-4-isoxazolyl [3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl] sulfone

SC41-0120 Screening compound: 3,5-dimethyl-4-isoxazolyl [3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl] sulfone
SC41-0120 Screening compound: 3,5-dimethyl-4-isoxazolyl [3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC41-0120
3,5-dimethyl-4-isoxazolyl [3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl] sulfone

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

SC41-0120

Molecular Formula

C17H17FN4O4S (C17 H17 FN4 O4 S)

Compound Name

3,5-dimethyl-4-isoxazolyl [3-fluoro-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl] sulfone

IUPAC name

3-{1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-3-fluoropyrrolidin-3-yl}-5-phenyl-124-oxadiazole

SMILES

Cc1noc(C)c1S(N(CC1)CC1(c1noc(-c2ccccc2)n1)F)(=O)=O

InChI

InChI=1S/C17H17FN4O4S/c1-11-14(12(2)25-20-11)27(23,24)22-9-8-17(18,10-22)16-19-15(26-21-16)13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3/t17-/m0/s1

InChI Key

LFLNTXLFRXHADE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32258713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.483

Distribution Coefficient, logD

2.483

Water Solubility, LogSw

-2.64

Polar Surface Area

85.693

Acid Dissociation Constant (pKa)

27.24

Base Dissociation Constant (pKb)

-4.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.29

SC41-0120 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC41-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC41-0120?
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What is the minimum amount of SC41-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC41-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC41-0120
  • 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 SC41-0120 available by request