SA04-0252 Screening compound: 5-(ethoxymethyl)-2-methyl-4-[1-(1-methylcyclohexanecarbonyl)piperidin-3-yl]pyrimidine

SA04-0252 Screening compound: 5-(ethoxymethyl)-2-methyl-4-[1-(1-methylcyclohexanecarbonyl)piperidin-3-yl]pyrimidine
SA04-0252 Screening compound: 5-(ethoxymethyl)-2-methyl-4-[1-(1-methylcyclohexanecarbonyl)piperidin-3-yl]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA04-0252
5-(ethoxymethyl)-2-methyl-4-[1-(1-methylcyclohexanecarbonyl)piperidin-3-yl]pyrimidine

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

SA04-0252

Molecular Formula

C21H33N3O2 (C21 H33 N3 O2)

Compound Name

5-(ethoxymethyl)-2-methyl-4-[1-(1-methylcyclohexanecarbonyl)piperidin-3-yl]pyrimidine

IUPAC name

5-(ethoxymethyl)-2-methyl-4-[1-(1-methylcyclohexanecarbonyl)piperidin-3-yl]pyrimidine

SMILES

CCOCc1cnc(C)nc1C(CCC1)CN1C(C1(C)CCCCC1)=O

InChI

InChI=1S/C21H33N3O2/c1-4-26-15-18-13-22-16(2)23-19(18)17-9-8-12-24(14-17)20(25)21(3)10-6-5-7-11-21/h13,17H,4-12,14-15H2,1-3H3/t17-/m0/s1

InChI Key

WNCQUULTCPEJDS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32233940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.463

Distribution Coefficient, logD

3.463

Water Solubility, LogSw

-3.32

Polar Surface Area

44.276

Acid Dissociation Constant (pKa)

22.65

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.19

SA04-0252 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 SA04-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA04-0252?
Check Price and Availability of SA04-0252, 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 SA04-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA04-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA04-0252
  • 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 SA04-0252 available by request