S382-1282 Screening compound: 7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

S382-1282 Screening compound: 7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
S382-1282 Screening compound: 7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S382-1282
7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

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

S382-1282

Molecular Formula

C17H24N4O3 (C17 H24 N4 O3)

Compound Name

7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

IUPAC name

7-[(4-methoxy-35-dimethylpyridin-2-yl)methyl]-13-dimethyl-137-triazaspiro[4.4]nonane-24-dione

SMILES

Cc1cnc(CN(CC2)CC2(C(N2C)=O)N(C)C2=O)c(C)c1OC

InChI

InChI=1S/C17H24N4O3/c1-11-8-18-13(12(2)14(11)24-5)9-21-7-6-17(10-21)15(22)19(3)16(23)20(17)4/h8H,6-7,9-10H2,1-5H3/t17-/m0/s1

InChI Key

XXDWAIAENSVJSZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31960313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.023

Distribution Coefficient, logD

-1.538

Water Solubility, LogSw

-1.40

Polar Surface Area

54.228

Acid Dissociation Constant (pKa)

25.57

Base Dissociation Constant (pKb)

9.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

S382-1282 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S382-1282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S382-1282?
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What is the minimum amount of S382-1282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S382-1282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S382-1282
  • 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 S382-1282 available by request