SA58-0496 Screening compound: 3-(2-{1-[(5-chlorothiophen-2-yl)sulfonyl]pyrrolidin-2-yl}ethyl)-5-cyclopropyl-1,2,4-oxadiazole

SA58-0496 Screening compound: 3-(2-{1-[(5-chlorothiophen-2-yl)sulfonyl]pyrrolidin-2-yl}ethyl)-5-cyclopropyl-1,2,4-oxadiazole
SA58-0496 Screening compound: 3-(2-{1-[(5-chlorothiophen-2-yl)sulfonyl]pyrrolidin-2-yl}ethyl)-5-cyclopropyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SA58-0496
3-(2-{1-[(5-chlorothiophen-2-yl)sulfonyl]pyrrolidin-2-yl}ethyl)-5-cyclopropyl-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

SA58-0496

Molecular Formula

C15H18ClN3O3S2 (C15 H18 ClN3 O3 S2)

Compound Name

3-(2-{1-[(5-chlorothiophen-2-yl)sulfonyl]pyrrolidin-2-yl}ethyl)-5-cyclopropyl-1,2,4-oxadiazole

IUPAC name

3-(2-{1-[(5-chlorothiophen-2-yl)sulfonyl]pyrrolidin-2-yl}ethyl)-5-cyclopropyl-124-oxadiazole

SMILES

O=S(c(s1)ccc1Cl)(N1C(CCc2noc(C3CC3)n2)CCC1)=O

InChI

InChI=1S/C15H18ClN3O3S2/c16-12-6-8-14(23-12)24(20,21)19-9-1-2-11(19)5-7-13-17-15(22-18-13)10-3-4-10/h6,8,10-11H,1-5,7,9H2/t11-/m1/s1

InChI Key

JGAWXVVAMMNBPR-LLVKDONJSA-N

MDL Number (MFCD)

MFCD31998868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.783

Distribution Coefficient, logD

3.783

Water Solubility, LogSw

-4.19

Polar Surface Area

66.676

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

SA58-0496 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 SA58-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA58-0496?
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What is the minimum amount of SA58-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA58-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA58-0496
  • 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 SA58-0496 available by request