SA02-0047 Screening compound: {4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methylpyrimidin-5-yl}methanol

SA02-0047 Screening compound: {4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methylpyrimidin-5-yl}methanol
SA02-0047 Screening compound: {4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methylpyrimidin-5-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound SA02-0047
{4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methylpyrimidin-5-yl}methanol

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

SA02-0047

Molecular Formula

C18H29N3O (C18 H29 N3 O)

Compound Name

{4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methylpyrimidin-5-yl}methanol

IUPAC name

n/a

SMILES

Cc1nc(C2CCN(CC3CCCCC3)CC2)c(CO)cn1

InChI

InChI=1S/C18H29N3O/c1-14-19-11-17(13-22)18(20-14)16-7-9-21(10-8-16)12-15-5-3-2-4-6-15/h11,15-16,22H,2-10,12-13H2,1H3

InChI Key

HGCALDBEVNXTHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32234495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.946

Distribution Coefficient, logD

1.213

Water Solubility, LogSw

-2.55

Polar Surface Area

40.483

Acid Dissociation Constant (pKa)

15.17

Base Dissociation Constant (pKb)

9.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

77.78

SA02-0047 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA02-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA02-0047?
Check Price and Availability of SA02-0047, 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 SA02-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA02-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA02-0047
  • 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 SA02-0047 available by request