SB75-1422 Screening compound: N~3~-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-3-pyridinesulfonamide

SB75-1422 Screening compound: N~3~-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-3-pyridinesulfonamide
SB75-1422 Screening compound: N~3~-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-3-pyridinesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB75-1422
N~3~-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-3-pyridinesulfonamide

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

SB75-1422

Molecular Formula

C22H25N5O3S (C22 H25 N5 O3 S)

Compound Name

N~3~-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-3-pyridinesulfonamide

IUPAC name

N-[(3aR5R6aR)-2-benzyl-3a-(3-methyl-124-oxadiazol-5-yl)-octahydrocyclopenta[c]pyrrol-5-yl]pyridine-3-sulfonamide

SMILES

Cc1noc([C@]2(C[C@@H](C3)NS(c4cnccc4)(=O)=O)[C@@H]3CN(Cc3ccccc3)C2)n1

InChI

InChI=1S/C22H25N5O3S/c1-16-24-21(30-25-16)22-11-19(26-31(28,29)20-8-5-9-23-12-20)10-18(22)14-27(15-22)13-17-6-3-2-4-7-17/h2-9,12,18-19,26H,10-11,13-15H2,1H3/t18-,19-,22+/m1/s1

InChI Key

IPLXNJXPHOXOPI-KNKQGSTJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.447

Distribution Coefficient, logD

-0.271

Water Solubility, LogSw

-2.41

Polar Surface Area

86.803

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.91

SB75-1422 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 SB75-1422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB75-1422?
Check Price and Availability of SB75-1422, 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 SB75-1422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB75-1422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB75-1422
  • 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 SB75-1422 available by request