SB54-1014 Screening compound: [(3S,4S)-1-cycloheptyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-3-yl]methyl methyl ether

SB54-1014 Screening compound: [(3S,4S)-1-cycloheptyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-3-yl]methyl methyl ether
SB54-1014 Screening compound: [(3S,4S)-1-cycloheptyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-3-yl]methyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound SB54-1014
[(3S,4S)-1-cycloheptyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-3-yl]methyl methyl ether

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

SB54-1014

Molecular Formula

C21H29N3O2 (C21 H29 N3 O2)

Compound Name

[(3S,4S)-1-cycloheptyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-3-yl]methyl methyl ether

IUPAC name

2-[(3S4S)-1-cycloheptyl-4-(methoxymethyl)pyrrolidin-3-yl]-5-phenyl-134-oxadiazole

SMILES

COC[C@@H](CN(C1)C2CCCCCC2)[C@H]1c1nnc(-c2ccccc2)o1

InChI

InChI=1S/C21H29N3O2/c1-25-15-17-13-24(18-11-7-2-3-8-12-18)14-19(17)21-23-22-20(26-21)16-9-5-4-6-10-16/h4-6,9-10,17-19H,2-3,7-8,11-15H2,1H3/t17-,19+/m1/s1

InChI Key

SGPKJXIMCPTLJQ-MJGOQNOKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.092

Distribution Coefficient, logD

1.564

Water Solubility, LogSw

-4.23

Polar Surface Area

42.756

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

9.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.90

SB54-1014 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CORONAVIRUS Library (20774 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with SB54-1014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB54-1014?
Check Price and Availability of SB54-1014, 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 SB54-1014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB54-1014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB54-1014
  • 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 SB54-1014 available by request