SA04-0191 Screening compound: 4-[1-(2-ethylbenzenesulfonyl)piperidin-3-yl]-5-(methoxymethyl)-2-methylpyrimidine

SA04-0191 Screening compound: 4-[1-(2-ethylbenzenesulfonyl)piperidin-3-yl]-5-(methoxymethyl)-2-methylpyrimidine
SA04-0191 Screening compound: 4-[1-(2-ethylbenzenesulfonyl)piperidin-3-yl]-5-(methoxymethyl)-2-methylpyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA04-0191
4-[1-(2-ethylbenzenesulfonyl)piperidin-3-yl]-5-(methoxymethyl)-2-methylpyrimidine

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

SA04-0191

Molecular Formula

C20H27N3O3S (C20 H27 N3 O3 S)

Compound Name

4-[1-(2-ethylbenzenesulfonyl)piperidin-3-yl]-5-(methoxymethyl)-2-methylpyrimidine

IUPAC name

4-[1-(2-ethylbenzenesulfonyl)piperidin-3-yl]-5-(methoxymethyl)-2-methylpyrimidine

SMILES

CCc(cccc1)c1S(N(CCC1)CC1c1nc(C)ncc1COC)(=O)=O

InChI

InChI=1S/C20H27N3O3S/c1-4-16-8-5-6-10-19(16)27(24,25)23-11-7-9-17(13-23)20-18(14-26-3)12-21-15(2)22-20/h5-6,8,10,12,17H,4,7,9,11,13-14H2,1-3H3/t17-/m0/s1

InChI Key

GZWREAVNYZVGRN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32233442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.078

Distribution Coefficient, logD

3.078

Water Solubility, LogSw

-3.01

Polar Surface Area

59.511

Acid Dissociation Constant (pKa)

22.93

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SA04-0191 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA04-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA04-0191?
Check Price and Availability of SA04-0191, 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 SA04-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA04-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA04-0191
  • 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 SA04-0191 available by request