SB56-0694 Screening compound: 2-cyclopentyl-1-{(3R,4S)-3-(3-pyridyl)-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-1-yl}-1-ethanone

SB56-0694 Screening compound: 2-cyclopentyl-1-{(3R,4S)-3-(3-pyridyl)-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-1-yl}-1-ethanone
SB56-0694 Screening compound: 2-cyclopentyl-1-{(3R,4S)-3-(3-pyridyl)-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-1-yl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB56-0694
2-cyclopentyl-1-{(3R,4S)-3-(3-pyridyl)-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-1-yl}-1-ethanone

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

SB56-0694

Molecular Formula

C23H25N5O2 (C23 H25 N5 O2)

Compound Name

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

IUPAC name

2-cyclopentyl-1-[(3R4S)-3-(pyridin-3-yl)-4-[3-(pyridin-4-yl)-124-oxadiazol-5-yl]pyrrolidin-1-yl]ethan-1-one

SMILES

O=C(CC1CCCC1)N(C[C@@H]1c2nc(-c3ccncc3)no2)C[C@@H]1c1cnccc1

InChI

InChI=1S/C23H25N5O2/c29-21(12-16-4-1-2-5-16)28-14-19(18-6-3-9-25-13-18)20(15-28)23-26-22(27-30-23)17-7-10-24-11-8-17/h3,6-11,13,16,19-20H,1-2,4-5,12,14-15H2/t19-,20+/m0/s1

InChI Key

KLOLCBRPFSSZHI-VQTJNVASSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.363

Distribution Coefficient, logD

3.361

Water Solubility, LogSw

-3.35

Polar Surface Area

67.231

Acid Dissociation Constant (pKa)

20.10

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.48

SB56-0694 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 SB56-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB56-0694?
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What is the minimum amount of SB56-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB56-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB56-0694
  • 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 SB56-0694 available by request