SB56-0891 Screening compound: (3S,4R)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-phenethyl-4-(3-pyridyl)tetrahydro-1H-pyrrole-1-carboxamide

SB56-0891 Screening compound: (3S,4R)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-phenethyl-4-(3-pyridyl)tetrahydro-1H-pyrrole-1-carboxamide
SB56-0891 Screening compound: (3S,4R)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-phenethyl-4-(3-pyridyl)tetrahydro-1H-pyrrole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB56-0891
(3S,4R)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-phenethyl-4-(3-pyridyl)tetrahydro-1H-pyrrole-1-carboxamide

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

SB56-0891

Molecular Formula

C25H29N5O2 (C25 H29 N5 O2)

Compound Name

(3S,4R)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-phenethyl-4-(3-pyridyl)tetrahydro-1H-pyrrole-1-carboxamide

IUPAC name

(3S4R)-3-(3-cyclopentyl-124-oxadiazol-5-yl)-N-(2-phenylethyl)-4-(pyridin-3-yl)pyrrolidine-1-carboxamide

SMILES

O=C(NCCc1ccccc1)N(C[C@@H]1c2nc(C3CCCC3)no2)C[C@@H]1c1cnccc1

InChI

InChI=1S/C25H29N5O2/c31-25(27-14-12-18-7-2-1-3-8-18)30-16-21(20-11-6-13-26-15-20)22(17-30)24-28-23(29-32-24)19-9-4-5-10-19/h1-3,6-8,11,13,15,19,21-22H,4-5,9-10,12,14,16-17H2,(H,27,31)/t21-,22+/m0/s1

InChI Key

UVPGIYSAXPNXHY-FCHUYYIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.305

Distribution Coefficient, logD

4.303

Water Solubility, LogSw

-4.21

Polar Surface Area

68.314

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

SB56-0891 in Drug Discovery

Included in Screening Libraries

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 SB56-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB56-0891?
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What is the minimum amount of SB56-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB56-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB56-0891
  • 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 SB56-0891 available by request