S736-0210 Screening compound: 1-[1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonan-7-yl]-3-(4-methoxyphenyl)propan-1-one

S736-0210 Screening compound: 1-[1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonan-7-yl]-3-(4-methoxyphenyl)propan-1-one
S736-0210 Screening compound: 1-[1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonan-7-yl]-3-(4-methoxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S736-0210
1-[1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonan-7-yl]-3-(4-methoxyphenyl)propan-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

S736-0210

Molecular Formula

C24H29FN2O3 (C24 H29 FN2 O3)

Compound Name

1-[1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonan-7-yl]-3-(4-methoxyphenyl)propan-1-one

IUPAC name

1-[1-(3-fluorophenyl)-3-methoxy-17-diazaspiro[3.5]nonan-7-yl]-3-(4-methoxyphenyl)propan-1-one

SMILES

COC(C1)C(CC2)(CCN2C(CCc(cc2)ccc2OC)=O)N1c1cccc(F)c1

InChI

InChI=1S/C24H29FN2O3/c1-29-21-9-6-18(7-10-21)8-11-23(28)26-14-12-24(13-15-26)22(30-2)17-27(24)20-5-3-4-19(25)16-20/h3-7,9-10,16,22H,8,11-15,17H2,1-2H3/t22-/m1/s1

InChI Key

VLPXSWFZSQTXBV-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD31968642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.421

Distribution Coefficient, logD

3.407

Water Solubility, LogSw

-3.69

Polar Surface Area

33.653

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.83

S736-0210 in Drug Discovery

Included in Screening Libraries

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 S736-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S736-0210?
Check Price and Availability of S736-0210, 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 S736-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S736-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S736-0210
  • 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 S736-0210 available by request