SA04-0005 Screening compound: {4-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]-2-methylpyrimidin-5-yl}methanol

SA04-0005 Screening compound: {4-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]-2-methylpyrimidin-5-yl}methanol
SA04-0005 Screening compound: {4-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]-2-methylpyrimidin-5-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound SA04-0005
{4-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-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

SA04-0005

Molecular Formula

C18H23N3O3 (C18 H23 N3 O3)

Compound Name

{4-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]-2-methylpyrimidin-5-yl}methanol

IUPAC name

{4-[1-(25-dimethylfuran-3-carbonyl)piperidin-3-yl]-2-methylpyrimidin-5-yl}methanol

SMILES

Cc1cc(C(N(CCC2)CC2c2nc(C)ncc2CO)=O)c(C)o1

InChI

InChI=1S/C18H23N3O3/c1-11-7-16(12(2)24-11)18(23)21-6-4-5-14(9-21)17-15(10-22)8-19-13(3)20-17/h7-8,14,22H,4-6,9-10H2,1-3H3/t14-/m0/s1

InChI Key

VVHXOOGMIXSQNP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32233535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.601

Distribution Coefficient, logD

1.601

Water Solubility, LogSw

-1.90

Polar Surface Area

60.887

Acid Dissociation Constant (pKa)

15.17

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SA04-0005 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA04-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA04-0005?
Check Price and Availability of SA04-0005, 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 SA04-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA04-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA04-0005
  • 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 SA04-0005 available by request