SB55-0113 Screening compound: (3aS)-6a-[5-(2-pyrazinyl)-1,2,4-oxadiazol-3-yl]tetrahydrocyclopenta[c]pyrrol-2(1H,3H)-yl cyclopropyl sulfone

SB55-0113 Screening compound: (3aS)-6a-[5-(2-pyrazinyl)-1,2,4-oxadiazol-3-yl]tetrahydrocyclopenta[c]pyrrol-2(1H,3H)-yl cyclopropyl sulfone
SB55-0113 Screening compound: (3aS)-6a-[5-(2-pyrazinyl)-1,2,4-oxadiazol-3-yl]tetrahydrocyclopenta[c]pyrrol-2(1H,3H)-yl cyclopropyl sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB55-0113
(3aS)-6a-[5-(2-pyrazinyl)-1,2,4-oxadiazol-3-yl]tetrahydrocyclopenta[c]pyrrol-2(1H,3H)-yl cyclopropyl sulfone

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

SB55-0113

Molecular Formula

C16H19N5O3S (C16 H19 N5 O3 S)

Compound Name

(3aS)-6a-[5-(2-pyrazinyl)-1,2,4-oxadiazol-3-yl]tetrahydrocyclopenta[c]pyrrol-2(1H,3H)-yl cyclopropyl sulfone

IUPAC name

2-{3-[(3aS6aS)-2-(cyclopropanesulfonyl)-octahydrocyclopenta[c]pyrrol-3a-yl]-124-oxadiazol-5-yl}pyrazine

SMILES

O=S(C1CC1)(N(C[C@@H]1CCC2)C[C@@]12c1noc(-c2nccnc2)n1)=O

InChI

InChI=1S/C16H19N5O3S/c22-25(23,12-3-4-12)21-9-11-2-1-5-16(11,10-21)15-19-14(24-20-15)13-8-17-6-7-18-13/h6-8,11-12H,1-5,9-10H2/t11-,16+/m1/s1

InChI Key

ZRXNJQLQKNFULY-BZNIZROVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.399

Distribution Coefficient, logD

1.399

Water Solubility, LogSw

-1.78

Polar Surface Area

82.963

Acid Dissociation Constant (pKa)

19.76

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

62.50

SB55-0113 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SB55-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB55-0113?
Check Price and Availability of SB55-0113, 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 SB55-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB55-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB55-0113
  • 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 SB55-0113 available by request