SB56-0834 Screening compound: 3-cyclopentyl-5-[(3S,4R)-4-(3-pyridyl)-1-(3-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]-1,2,4-oxadiazole

SB56-0834 Screening compound: 3-cyclopentyl-5-[(3S,4R)-4-(3-pyridyl)-1-(3-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]-1,2,4-oxadiazole
SB56-0834 Screening compound: 3-cyclopentyl-5-[(3S,4R)-4-(3-pyridyl)-1-(3-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB56-0834
3-cyclopentyl-5-[(3S,4R)-4-(3-pyridyl)-1-(3-pyridylmethyl)tetrahydro-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

SB56-0834

Molecular Formula

C22H25N5O (C22 H25 N5 O)

Compound Name

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

IUPAC name

3-[(3R4S)-4-(3-cyclopentyl-124-oxadiazol-5-yl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl]pyridine

SMILES

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

InChI

InChI=1S/C22H25N5O/c1-2-7-17(6-1)21-25-22(28-26-21)20-15-27(13-16-5-3-9-23-11-16)14-19(20)18-8-4-10-24-12-18/h3-5,8-12,17,19-20H,1-2,6-7,13-15H2/t19-,20+/m1/s1

InChI Key

NIHVZZKEGVBHNB-UXHICEINSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.095

Distribution Coefficient, logD

2.028

Water Solubility, LogSw

-2.88

Polar Surface Area

54.932

Acid Dissociation Constant (pKa)

19.44

Base Dissociation Constant (pKb)

8.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.46

SB56-0834 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 SB56-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB56-0834?
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What is the minimum amount of SB56-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB56-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB56-0834
  • 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 SB56-0834 available by request