CM4729-0901 Screening compound: 4-methyl-9-{[3-(2-thienyl)-1H-pyrazol-4-yl]methyl}-1-oxa-9-azaspiro[5.5]undecan-4-ol

CM4729-0901 Screening compound: 4-methyl-9-{[3-(2-thienyl)-1H-pyrazol-4-yl]methyl}-1-oxa-9-azaspiro[5.5]undecan-4-ol
CM4729-0901 Screening compound: 4-methyl-9-{[3-(2-thienyl)-1H-pyrazol-4-yl]methyl}-1-oxa-9-azaspiro[5.5]undecan-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4729-0901
4-methyl-9-{[3-(2-thienyl)-1H-pyrazol-4-yl]methyl}-1-oxa-9-azaspiro[5.5]undecan-4-ol

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

CM4729-0901

Molecular Formula

C18H25N3O2S (C18 H25 N3 O2 S)

Compound Name

4-methyl-9-{[3-(2-thienyl)-1H-pyrazol-4-yl]methyl}-1-oxa-9-azaspiro[5.5]undecan-4-ol

IUPAC name

4-methyl-9-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}-1-oxa-9-azaspiro[5.5]undecan-4-ol

SMILES

CC1(CC2(CCN(Cc3c[nH]nc3-c3cccs3)CC2)OCC1)O

InChI

InChI=1S/C18H25N3O2S/c1-17(22)6-9-23-18(13-17)4-7-21(8-5-18)12-14-11-19-20-16(14)15-3-2-10-24-15/h2-3,10-11,22H,4-9,12-13H2,1H3,(H,19,20)/t17-/m0/s1

InChI Key

HXEFBECUORFHEE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD30459265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.518

Distribution Coefficient, logD

-0.245

Water Solubility, LogSw

-2.36

Polar Surface Area

51.213

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

10.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

CM4729-0901 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 CM4729-0901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4729-0901?
Check Price and Availability of CM4729-0901, 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 CM4729-0901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4729-0901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4729-0901
  • 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 CM4729-0901 available by request