SA02-0447 Screening compound: 3-(1H-indol-3-yl)-1-(4-{5-[(2-methoxyethoxy)methyl]-2-methylpyrimidin-4-yl}piperidin-1-yl)propan-1-one

SA02-0447 Screening compound: 3-(1H-indol-3-yl)-1-(4-{5-[(2-methoxyethoxy)methyl]-2-methylpyrimidin-4-yl}piperidin-1-yl)propan-1-one
SA02-0447 Screening compound: 3-(1H-indol-3-yl)-1-(4-{5-[(2-methoxyethoxy)methyl]-2-methylpyrimidin-4-yl}piperidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA02-0447
3-(1H-indol-3-yl)-1-(4-{5-[(2-methoxyethoxy)methyl]-2-methylpyrimidin-4-yl}piperidin-1-yl)propan-1-one

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

SA02-0447

Molecular Formula

C25H32N4O3 (C25 H32 N4 O3)

Compound Name

3-(1H-indol-3-yl)-1-(4-{5-[(2-methoxyethoxy)methyl]-2-methylpyrimidin-4-yl}piperidin-1-yl)propan-1-one

IUPAC name

3-(1H-indol-3-yl)-1-(4-{5-[(2-methoxyethoxy)methyl]-2-methylpyrimidin-4-yl}piperidin-1-yl)propan-1-one

SMILES

Cc1ncc(COCCOC)c(C(CC2)CCN2C(CCc2c[nH]c3c2cccc3)=O)n1

InChI

InChI=1S/C25H32N4O3/c1-18-26-16-21(17-32-14-13-31-2)25(28-18)19-9-11-29(12-10-19)24(30)8-7-20-15-27-23-6-4-3-5-22(20)23/h3-6,15-16,19,27H,7-14,17H2,1-2H3

InChI Key

ZAFGOFGNMNFZSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32234111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.445

Distribution Coefficient, logD

2.445

Water Solubility, LogSw

-2.52

Polar Surface Area

62.130

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

SA02-0447 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA02-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA02-0447?
Check Price and Availability of SA02-0447, 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 SA02-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA02-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA02-0447
  • 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 SA02-0447 available by request