SB56-0971 Screening compound: 5-[(3S,4R)-1-(3-phenylpropyl)-4-(3-pyridyl)tetrahydro-1H-pyrrol-3-yl]-3-(2-pyrazinyl)-1,2,4-oxadiazole

SB56-0971 Screening compound: 5-[(3S,4R)-1-(3-phenylpropyl)-4-(3-pyridyl)tetrahydro-1H-pyrrol-3-yl]-3-(2-pyrazinyl)-1,2,4-oxadiazole
SB56-0971 Screening compound: 5-[(3S,4R)-1-(3-phenylpropyl)-4-(3-pyridyl)tetrahydro-1H-pyrrol-3-yl]-3-(2-pyrazinyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB56-0971
5-[(3S,4R)-1-(3-phenylpropyl)-4-(3-pyridyl)tetrahydro-1H-pyrrol-3-yl]-3-(2-pyrazinyl)-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

SB56-0971

Molecular Formula

C24H24N6O (C24 H24 N6 O)

Compound Name

5-[(3S,4R)-1-(3-phenylpropyl)-4-(3-pyridyl)tetrahydro-1H-pyrrol-3-yl]-3-(2-pyrazinyl)-1,2,4-oxadiazole

IUPAC name

2-{5-[(3S4R)-1-(3-phenylpropyl)-4-(pyridin-3-yl)pyrrolidin-3-yl]-124-oxadiazol-3-yl}pyrazine

SMILES

C(Cc1ccccc1)CN(C[C@@H]1c2nc(-c3nccnc3)no2)C[C@@H]1c1cnccc1

InChI

InChI=1S/C24H24N6O/c1-2-6-18(7-3-1)8-5-13-30-16-20(19-9-4-10-25-14-19)21(17-30)24-28-23(29-31-24)22-15-26-11-12-27-22/h1-4,6-7,9-12,14-15,20-21H,5,8,13,16-17H2/t20-,21+/m1/s1

InChI Key

CYXHOOTVZUDMNY-RTWAWAEBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.407

Distribution Coefficient, logD

1.587

Water Solubility, LogSw

-3.32

Polar Surface Area

63.400

Acid Dissociation Constant (pKa)

19.74

Base Dissociation Constant (pKb)

9.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.17

SB56-0971 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB56-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB56-0971?
Check Price and Availability of SB56-0971, 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 SB56-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB56-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB56-0971
  • 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 SB56-0971 available by request