SC01-0047 Screening compound: N-{2-[5-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-5-fluoro-N,2-dimethyl-1-benzenesulfonamide

SC01-0047 Screening compound: N-{2-[5-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-5-fluoro-N,2-dimethyl-1-benzenesulfonamide
SC01-0047 Screening compound: N-{2-[5-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-5-fluoro-N,2-dimethyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC01-0047
N-{2-[5-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-5-fluoro-N,2-dimethyl-1-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

SC01-0047

Molecular Formula

C20H24FN5O4S (C20 H24 FN5 O4 S)

Compound Name

N-{2-[5-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-5-fluoro-N,2-dimethyl-1-benzenesulfonamide

IUPAC name

N-[2-(5-{1-ethyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}-124-oxadiazol-3-yl)ethyl]-5-fluoro-N2-dimethylbenzene-1-sulfonamide

SMILES

CCn(c1c2COCC1)nc2-c1nc(CCN(C)S(c2c(C)ccc(F)c2)(=O)=O)no1

InChI

InChI=1S/C20H24FN5O4S/c1-4-26-16-8-10-29-12-15(16)19(23-26)20-22-18(24-30-20)7-9-25(3)31(27,28)17-11-14(21)6-5-13(17)2/h5-6,11H,4,7-10,12H2,1-3H3

InChI Key

DRFCSQAZIBQVKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32251193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.168

Distribution Coefficient, logD

2.168

Water Solubility, LogSw

-2.62

Polar Surface Area

88.233

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

SC01-0047 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 SC01-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC01-0047?
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What is the minimum amount of SC01-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC01-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC01-0047
  • 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 SC01-0047 available by request