SB56-0666 Screening compound: cyclopropyl{(3R,4S)-3-(3-pyridyl)-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-1-yl}methanone

SB56-0666 Screening compound: cyclopropyl{(3R,4S)-3-(3-pyridyl)-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-1-yl}methanone
SB56-0666 Screening compound: cyclopropyl{(3R,4S)-3-(3-pyridyl)-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-1-yl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB56-0666
cyclopropyl{(3R,4S)-3-(3-pyridyl)-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-1-yl}methanone

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

SB56-0666

Molecular Formula

C20H19N5O2 (C20 H19 N5 O2)

Compound Name

cyclopropyl{(3R,4S)-3-(3-pyridyl)-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-1-yl}methanone

IUPAC name

4-{5-[(3S4R)-1-cyclopropanecarbonyl-4-(pyridin-3-yl)pyrrolidin-3-yl]-124-oxadiazol-3-yl}pyridine

SMILES

O=C(C1CC1)N(C[C@@H]1c2nc(-c3ccncc3)no2)C[C@@H]1c1cnccc1

InChI

InChI=1S/C20H19N5O2/c26-20(14-3-4-14)25-11-16(15-2-1-7-22-10-15)17(12-25)19-23-18(24-27-19)13-5-8-21-9-6-13/h1-2,5-10,14,16-17H,3-4,11-12H2/t16-,17+/m0/s1

InChI Key

RBGZOORKEMFWFO-DLBZAZTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.390

Distribution Coefficient, logD

2.388

Water Solubility, LogSw

-2.40

Polar Surface Area

67.723

Acid Dissociation Constant (pKa)

20.10

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

SB56-0666 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 SB56-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB56-0666?
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What is the minimum amount of SB56-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB56-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB56-0666
  • 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 SB56-0666 available by request