SA02-0045 Screening compound: {4-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methylpyrimidin-5-yl}methanol

SA02-0045 Screening compound: {4-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methylpyrimidin-5-yl}methanol
SA02-0045 Screening compound: {4-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methylpyrimidin-5-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound SA02-0045
{4-[1-(1H-indole-3-carbonyl)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

SA02-0045

Molecular Formula

C20H22N4O2 (C20 H22 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ncc(CO)c(C(CC2)CCN2C(c2c[nH]c3c2cccc3)=O)n1

InChI

InChI=1S/C20H22N4O2/c1-13-21-10-15(12-25)19(23-13)14-6-8-24(9-7-14)20(26)17-11-22-18-5-3-2-4-16(17)18/h2-5,10-11,14,22,25H,6-9,12H2,1H3

InChI Key

UQXYSYPHLPZMII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32234494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.055

Distribution Coefficient, logD

2.055

Water Solubility, LogSw

-2.66

Polar Surface Area

63.077

Acid Dissociation Constant (pKa)

15.17

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

SA02-0045 in Drug Discovery

Included in Screening Libraries

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 SA02-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA02-0045?
Check Price and Availability of SA02-0045, 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 SA02-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA02-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA02-0045
  • 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 SA02-0045 available by request