SA58-0592 Screening compound: 5-cyclopropyl-3-{2-[1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazole

SA58-0592 Screening compound: 5-cyclopropyl-3-{2-[1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazole
SA58-0592 Screening compound: 5-cyclopropyl-3-{2-[1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SA58-0592
5-cyclopropyl-3-{2-[1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-2-yl]ethyl}-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

SA58-0592

Molecular Formula

C21H27N3O3S (C21 H27 N3 O3 S)

Compound Name

5-cyclopropyl-3-{2-[1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-2-yl]ethyl}-1,2,4-oxadiazole

IUPAC name

5-cyclopropyl-3-{2-[1-(5678-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-2-yl]ethyl}-124-oxadiazole

SMILES

O=S(c1cc(CCCC2)c2cc1)(N1C(CCc2noc(C3CC3)n2)CCC1)=O

InChI

InChI=1S/C21H27N3O3S/c25-28(26,19-11-9-15-4-1-2-5-17(15)14-19)24-13-3-6-18(24)10-12-20-22-21(27-23-20)16-7-8-16/h9,11,14,16,18H,1-8,10,12-13H2/t18-/m1/s1

InChI Key

KGAXUGFVYXGAMZ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD31999373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.53

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

4.712

Distribution Coefficient, logD

4.712

Water Solubility, LogSw

-4.72

Polar Surface Area

65.579

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SA58-0592 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 SA58-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA58-0592?
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What is the minimum amount of SA58-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA58-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA58-0592
  • 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 SA58-0592 available by request