SB56-0605 Screening compound: 3-phenyl-5-[(3S,4R)-4-(3-pyridyl)-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl]-1,2,4-oxadiazole

SB56-0605 Screening compound: 3-phenyl-5-[(3S,4R)-4-(3-pyridyl)-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl]-1,2,4-oxadiazole
SB56-0605 Screening compound: 3-phenyl-5-[(3S,4R)-4-(3-pyridyl)-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB56-0605
3-phenyl-5-[(3S,4R)-4-(3-pyridyl)-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl]-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

SB56-0605

Molecular Formula

C22H24N4O2 (C22 H24 N4 O2)

Compound Name

3-phenyl-5-[(3S,4R)-4-(3-pyridyl)-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl]-1,2,4-oxadiazole

IUPAC name

3-[(3R4S)-1-(oxan-4-yl)-4-(3-phenyl-124-oxadiazol-5-yl)pyrrolidin-3-yl]pyridine

SMILES

C([C@@H]([C@H](C1)c2cnccc2)c2nc(-c3ccccc3)no2)N1C1CCOCC1

InChI

InChI=1S/C22H24N4O2/c1-2-5-16(6-3-1)21-24-22(28-25-21)20-15-26(18-8-11-27-12-9-18)14-19(20)17-7-4-10-23-13-17/h1-7,10,13,18-20H,8-9,11-12,14-15H2/t19-,20+/m0/s1

InChI Key

URNHCUXUEJMMJV-VQTJNVASSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.448

Distribution Coefficient, logD

1.074

Water Solubility, LogSw

-3.28

Polar Surface Area

52.317

Acid Dissociation Constant (pKa)

20.04

Base Dissociation Constant (pKb)

9.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.91

SB56-0605 in Drug Discovery

Included in Screening Libraries

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 SB56-0605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB56-0605?
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What is the minimum amount of SB56-0605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB56-0605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB56-0605
  • 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 SB56-0605 available by request