SB54-0179 Screening compound: (3S,4S)-3-(methoxymethyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl (2-thienyl) sulfone

SB54-0179 Screening compound: (3S,4S)-3-(methoxymethyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl (2-thienyl) sulfone
SB54-0179 Screening compound: (3S,4S)-3-(methoxymethyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl (2-thienyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB54-0179
(3S,4S)-3-(methoxymethyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl (2-thienyl) 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

SB54-0179

Molecular Formula

C13H17N3O4S2 (C13 H17 N3 O4 S2)

Compound Name

(3S,4S)-3-(methoxymethyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl (2-thienyl) sulfone

IUPAC name

2-[(3S4S)-4-(methoxymethyl)-1-(thiophene-2-sulfonyl)pyrrolidin-3-yl]-5-methyl-134-oxadiazole

SMILES

Cc1nnc([C@@H](C2)[C@@H](COC)CN2S(c2cccs2)(=O)=O)o1

InChI

InChI=1S/C13H17N3O4S2/c1-9-14-15-13(20-9)11-7-16(6-10(11)8-19-2)22(17,18)12-4-3-5-21-12/h3-5,10-11H,6-8H2,1-2H3/t10-,11+/m0/s1

InChI Key

HHMCBTNIIOJAGN-WDEREUQCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.989

Distribution Coefficient, logD

0.989

Water Solubility, LogSw

-2.44

Polar Surface Area

71.368

Acid Dissociation Constant (pKa)

23.82

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.85

SB54-0179 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 SB54-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB54-0179?
Check Price and Availability of SB54-0179, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB54-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB54-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB54-0179
  • 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 SB54-0179 available by request