S845-0293 Screening compound: 2-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1-pyrrolidinyl propyl sulfone

S845-0293 Screening compound: 2-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1-pyrrolidinyl propyl sulfone
S845-0293 Screening compound: 2-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1-pyrrolidinyl propyl sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound S845-0293
2-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1-pyrrolidinyl propyl 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

S845-0293

Molecular Formula

C12H22N4O2S (C12 H22 N4 O2 S)

Compound Name

2-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1-pyrrolidinyl propyl sulfone

IUPAC name

4-(propan-2-yl)-3-[1-(propane-1-sulfonyl)pyrrolidin-2-yl]-4H-124-triazole

SMILES

CCCS(N(CCC1)C1c1nncn1C(C)C)(=O)=O

InChI

InChI=1S/C12H22N4O2S/c1-4-8-19(17,18)16-7-5-6-11(16)12-14-13-9-15(12)10(2)3/h9-11H,4-8H2,1-3H3

InChI Key

RKWRUJIMDXIVJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31994748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.790

Distribution Coefficient, logD

0.760

Water Solubility, LogSw

-1.30

Polar Surface Area

58.100

Acid Dissociation Constant (pKa)

18.76

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

83.33

S845-0293 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S845-0293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S845-0293?
Check Price and Availability of S845-0293, 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 S845-0293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S845-0293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S845-0293
  • 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 S845-0293 available by request