S736-0416 Screening compound: 1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]non-7-yl (1,3,5-trimethyl-1H-pyrazol-4-yl) sulfone

S736-0416 Screening compound: 1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]non-7-yl (1,3,5-trimethyl-1H-pyrazol-4-yl) sulfone
S736-0416 Screening compound: 1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]non-7-yl (1,3,5-trimethyl-1H-pyrazol-4-yl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound S736-0416
1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]non-7-yl (1,3,5-trimethyl-1H-pyrazol-4-yl) sulfone

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

S736-0416

Molecular Formula

C20H27FN4O3S (C20 H27 FN4 O3 S)

Compound Name

1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]non-7-yl (1,3,5-trimethyl-1H-pyrazol-4-yl) sulfone

IUPAC name

1-(3-fluorophenyl)-3-methoxy-7-[(135-trimethyl-1H-pyrazol-4-yl)sulfonyl]-17-diazaspiro[3.5]nonane

SMILES

Cc(n(C)nc1C)c1S(N(CC1)CCC1(C(C1)OC)N1c1cc(F)ccc1)(=O)=O

InChI

InChI=1S/C20H27FN4O3S/c1-14-19(15(2)23(3)22-14)29(26,27)24-10-8-20(9-11-24)18(28-4)13-25(20)17-7-5-6-16(21)12-17/h5-7,12,18H,8-11,13H2,1-4H3/t18-/m1/s1

InChI Key

BIONUGYNQYWCEK-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.497

Distribution Coefficient, logD

1.493

Water Solubility, LogSw

-2.29

Polar Surface Area

56.539

Acid Dissociation Constant (pKa)

26.54

Base Dissociation Constant (pKb)

6.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

S736-0416 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S736-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S736-0416?
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What is the minimum amount of S736-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S736-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S736-0416
  • 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 S736-0416 available by request