SA40-0749 Screening compound: 6-METHYL-2-(5-METHYLPYRIDINE-3-CARBONYL)-7-(PYRROLIDINE-1-CARBONYL)-2,6-DIAZASPIRO[3.4]OCTANE

SA40-0749 Screening compound: 6-METHYL-2-(5-METHYLPYRIDINE-3-CARBONYL)-7-(PYRROLIDINE-1-CARBONYL)-2,6-DIAZASPIRO[3.4]OCTANE
SA40-0749 Screening compound: 6-METHYL-2-(5-METHYLPYRIDINE-3-CARBONYL)-7-(PYRROLIDINE-1-CARBONYL)-2,6-DIAZASPIRO[3.4]OCTANE alternative view

Chemical Structure Depiction of ChemDiv screening compound SA40-0749
6-METHYL-2-(5-METHYLPYRIDINE-3-CARBONYL)-7-(PYRROLIDINE-1-CARBONYL)-2,6-DIAZASPIRO[3.4]OCTANE

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

SA40-0749

Molecular Formula

C19H26N4O2 (C19 H26 N4 O2)

Compound Name

6-METHYL-2-(5-METHYLPYRIDINE-3-CARBONYL)-7-(PYRROLIDINE-1-CARBONYL)-2,6-DIAZASPIRO[3.4]OCTANE

IUPAC name

6-methyl-2-(5-methylpyridine-3-carbonyl)-7-(pyrrolidine-1-carbonyl)-26-diazaspiro[3.4]octane

SMILES

Cc1cc(C(N(C2)CC2(C2)CN(C)C2C(N2CCCC2)=O)=O)cnc1

InChI

InChI=1S/C19H26N4O2/c1-14-7-15(10-20-9-14)17(24)23-12-19(13-23)8-16(21(2)11-19)18(25)22-5-3-4-6-22/h7,9-10,16H,3-6,8,11-13H2,1-2H3/t16-/m1/s1

InChI Key

LADSPHPXMWIQDM-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32237500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.410

Distribution Coefficient, logD

-2.336

Water Solubility, LogSw

-0.93

Polar Surface Area

47.313

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

10.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

SA40-0749 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)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA40-0749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA40-0749?
Check Price and Availability of SA40-0749, 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 SA40-0749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA40-0749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA40-0749
  • 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 SA40-0749 available by request