S635-4014 Screening compound: 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone

S635-4014 Screening compound: 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
S635-4014 Screening compound: 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S635-4014
1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone

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

S635-4014

Molecular Formula

C21H34N4O3 (C21 H34 N4 O3)

Compound Name

1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone

IUPAC name

1-[2-acetyl-4-(methoxymethyl)-28-diazaspiro[4.5]decan-8-yl]-3-(135-trimethyl-1H-pyrazol-4-yl)propan-1-one

SMILES

CC(N1CC(CC2)(CCN2C(CCc2c(C)n(C)nc2C)=O)C(COC)C1)=O

InChI

InChI=1S/C21H34N4O3/c1-15-19(16(2)23(4)22-15)6-7-20(27)24-10-8-21(9-11-24)14-25(17(3)26)12-18(21)13-28-5/h18H,6-14H2,1-5H3/t18-/m1/s1

InChI Key

BDWACMMDVSRNAJ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD29014011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.009

Distribution Coefficient, logD

0.008

Water Solubility, LogSw

0.06

Polar Surface Area

56.972

Acid Dissociation Constant (pKa)

22.19

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.19

S635-4014 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)

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
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S635-4014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S635-4014?
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What is the minimum amount of S635-4014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S635-4014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S635-4014
  • 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 S635-4014 available by request