SC41-0039 Screening compound: 3-[3-fluoro-1-(3,4,5-trimethoxybenzyl)tetrahydro-1H-pyrrol-3-yl]-5-phenyl-1,2,4-oxadiazole

SC41-0039 Screening compound: 3-[3-fluoro-1-(3,4,5-trimethoxybenzyl)tetrahydro-1H-pyrrol-3-yl]-5-phenyl-1,2,4-oxadiazole
SC41-0039 Screening compound: 3-[3-fluoro-1-(3,4,5-trimethoxybenzyl)tetrahydro-1H-pyrrol-3-yl]-5-phenyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SC41-0039
3-[3-fluoro-1-(3,4,5-trimethoxybenzyl)tetrahydro-1H-pyrrol-3-yl]-5-phenyl-1,2,4-oxadiazole

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

SC41-0039

Molecular Formula

C22H24FN3O4 (C22 H24 FN3 O4)

Compound Name

3-[3-fluoro-1-(3,4,5-trimethoxybenzyl)tetrahydro-1H-pyrrol-3-yl]-5-phenyl-1,2,4-oxadiazole

IUPAC name

3-{3-fluoro-1-[(345-trimethoxyphenyl)methyl]pyrrolidin-3-yl}-5-phenyl-124-oxadiazole

SMILES

COc1cc(CN(CC2)CC2(c2noc(-c3ccccc3)n2)F)cc(OC)c1OC

InChI

InChI=1S/C22H24FN3O4/c1-27-17-11-15(12-18(28-2)19(17)29-3)13-26-10-9-22(23,14-26)21-24-20(30-25-21)16-7-5-4-6-8-16/h4-8,11-12H,9-10,13-14H2,1-3H3/t22-/m0/s1

InChI Key

XPOYHTNHFRXMTH-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD32258360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.747

Distribution Coefficient, logD

1.566

Water Solubility, LogSw

-4.02

Polar Surface Area

58.654

Acid Dissociation Constant (pKa)

27.34

Base Dissociation Constant (pKb)

9.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

SC41-0039 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 SC41-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC41-0039?
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What is the minimum amount of SC41-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC41-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC41-0039
  • 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 SC41-0039 available by request