S630-0579 Screening compound: 7-[(5-methoxy-1H-indol-3-yl)methyl]-3-phenyl-2-(propan-2-yl)-2,7-diazaspiro[3.5]nonan-1-one

S630-0579 Screening compound: 7-[(5-methoxy-1H-indol-3-yl)methyl]-3-phenyl-2-(propan-2-yl)-2,7-diazaspiro[3.5]nonan-1-one
S630-0579 Screening compound: 7-[(5-methoxy-1H-indol-3-yl)methyl]-3-phenyl-2-(propan-2-yl)-2,7-diazaspiro[3.5]nonan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S630-0579
7-[(5-methoxy-1H-indol-3-yl)methyl]-3-phenyl-2-(propan-2-yl)-2,7-diazaspiro[3.5]nonan-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

S630-0579

Molecular Formula

C26H31N3O2 (C26 H31 N3 O2)

Compound Name

7-[(5-methoxy-1H-indol-3-yl)methyl]-3-phenyl-2-(propan-2-yl)-2,7-diazaspiro[3.5]nonan-1-one

IUPAC name

7-[(5-methoxy-1H-indol-3-yl)methyl]-3-phenyl-2-(propan-2-yl)-27-diazaspiro[3.5]nonan-1-one

SMILES

CC(C)N(C(C12CCN(Cc3c[nH]c(cc4)c3cc4OC)CC2)c2ccccc2)C1=O

InChI

InChI=1S/C26H31N3O2/c1-18(2)29-24(19-7-5-4-6-8-19)26(25(29)30)11-13-28(14-12-26)17-20-16-27-23-10-9-21(31-3)15-22(20)23/h4-10,15-16,18,24,27H,11-14,17H2,1-3H3/t24-/m0/s1

InChI Key

ZAWKRGPJKAMZBU-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD31981733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.240

Distribution Coefficient, logD

0.497

Water Solubility, LogSw

-4.27

Polar Surface Area

37.122

Acid Dissociation Constant (pKa)

18.69

Base Dissociation Constant (pKb)

11.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.31

S630-0579 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S630-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S630-0579?
Check Price and Availability of S630-0579, 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 S630-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S630-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S630-0579
  • 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 S630-0579 available by request