SC67-0139 Screening compound: 2-fluorophenyl [2-isopropyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]dec-8-yl] sulfone

SC67-0139 Screening compound: 2-fluorophenyl [2-isopropyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]dec-8-yl] sulfone
SC67-0139 Screening compound: 2-fluorophenyl [2-isopropyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]dec-8-yl] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC67-0139
2-fluorophenyl [2-isopropyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]dec-8-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

SC67-0139

Molecular Formula

C20H28FN5O2S (C20 H28 FN5 O2 S)

Compound Name

2-fluorophenyl [2-isopropyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]dec-8-yl] sulfone

IUPAC name

8-(2-fluorobenzenesulfonyl)-4-(4-methyl-4H-124-triazol-3-yl)-2-(propan-2-yl)-28-diazaspiro[4.5]decane

SMILES

CC(C)N(C1)CC(CC2)(CCN2S(c(cccc2)c2F)(=O)=O)C1c1nncn1C

InChI

InChI=1S/C20H28FN5O2S/c1-15(2)25-12-16(19-23-22-14-24(19)3)20(13-25)8-10-26(11-9-20)29(27,28)18-7-5-4-6-17(18)21/h4-7,14-16H,8-13H2,1-3H3/t16-/m1/s1

InChI Key

PUPZWZLFSGTQQY-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.607

Distribution Coefficient, logD

-1.696

Water Solubility, LogSw

-2.28

Polar Surface Area

60.879

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

10.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

SC67-0139 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC67-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC67-0139?
Check Price and Availability of SC67-0139, 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 SC67-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC67-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC67-0139
  • 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 SC67-0139 available by request