SA02-1085 Screening compound: 5-(methoxymethyl)-4-{1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperidin-4-yl}-2-methylpyrimidine

SA02-1085 Screening compound: 5-(methoxymethyl)-4-{1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperidin-4-yl}-2-methylpyrimidine
SA02-1085 Screening compound: 5-(methoxymethyl)-4-{1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperidin-4-yl}-2-methylpyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA02-1085
5-(methoxymethyl)-4-{1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperidin-4-yl}-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

SA02-1085

Molecular Formula

C26H35N3O3 (C26 H35 N3 O3)

Compound Name

5-(methoxymethyl)-4-{1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperidin-4-yl}-2-methylpyrimidine

IUPAC name

5-(methoxymethyl)-4-{1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperidin-4-yl}-2-methylpyrimidine

SMILES

Cc1ncc(COC)c(C(CC2)CCN2C(C2(CCCCC2)c(cc2)ccc2OC)=O)n1

InChI

InChI=1S/C26H35N3O3/c1-19-27-17-21(18-31-2)24(28-19)20-11-15-29(16-12-20)25(30)26(13-5-4-6-14-26)22-7-9-23(32-3)10-8-22/h7-10,17,20H,4-6,11-16,18H2,1-3H3

InChI Key

PBCQKOOCLLKVJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32233529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.172

Distribution Coefficient, logD

4.172

Water Solubility, LogSw

-4.04

Polar Surface Area

51.980

Acid Dissociation Constant (pKa)

22.93

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.69

SA02-1085 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA02-1085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA02-1085?
Check Price and Availability of SA02-1085, 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 SA02-1085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA02-1085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA02-1085
  • 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 SA02-1085 available by request