SB54-0131 Screening compound: 1-[(3S,4S)-3-(methoxymethyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl]-2-(3-methylphenyl)-1-ethanone

SB54-0131 Screening compound: 1-[(3S,4S)-3-(methoxymethyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl]-2-(3-methylphenyl)-1-ethanone
SB54-0131 Screening compound: 1-[(3S,4S)-3-(methoxymethyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl]-2-(3-methylphenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB54-0131
1-[(3S,4S)-3-(methoxymethyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl]-2-(3-methylphenyl)-1-ethanone

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

SB54-0131

Molecular Formula

C18H23N3O3 (C18 H23 N3 O3)

Compound Name

1-[(3S,4S)-3-(methoxymethyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl]-2-(3-methylphenyl)-1-ethanone

IUPAC name

1-[(3S4S)-3-(methoxymethyl)-4-(5-methyl-134-oxadiazol-2-yl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethan-1-one

SMILES

Cc1nnc([C@@H](C2)[C@@H](COC)CN2C(Cc2cc(C)ccc2)=O)o1

InChI

InChI=1S/C18H23N3O3/c1-12-5-4-6-14(7-12)8-17(22)21-9-15(11-23-3)16(10-21)18-20-19-13(2)24-18/h4-7,15-16H,8-11H2,1-3H3/t15-,16+/m0/s1

InChI Key

WYVWTSMKRJOVPM-JKSUJKDBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.158

Distribution Coefficient, logD

2.158

Water Solubility, LogSw

-2.74

Polar Surface Area

54.760

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

SB54-0131 in Drug Discovery

Included in Screening Libraries

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 SB54-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB54-0131?
Check Price and Availability of SB54-0131, 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 SB54-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB54-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB54-0131
  • 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 SB54-0131 available by request