SC55-0417 Screening compound: 8-[3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]-2-[(3-methoxyphenyl)sulfonyl]-6-methyl-2,6-diazaspiro[3.4]octane

SC55-0417 Screening compound: 8-[3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]-2-[(3-methoxyphenyl)sulfonyl]-6-methyl-2,6-diazaspiro[3.4]octane
SC55-0417 Screening compound: 8-[3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]-2-[(3-methoxyphenyl)sulfonyl]-6-methyl-2,6-diazaspiro[3.4]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound SC55-0417
8-[3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]-2-[(3-methoxyphenyl)sulfonyl]-6-methyl-2,6-diazaspiro[3.4]octane

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

SC55-0417

Molecular Formula

C19H27N5O4S (C19 H27 N5 O4 S)

Compound Name

8-[3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]-2-[(3-methoxyphenyl)sulfonyl]-6-methyl-2,6-diazaspiro[3.4]octane

IUPAC name

2-(3-methoxybenzenesulfonyl)-8-[3-(2-methoxyethyl)-1H-124-triazol-5-yl]-6-methyl-26-diazaspiro[3.4]octane

SMILES

CN(C1)CC(C2)(CN2S(c2cc(OC)ccc2)(=O)=O)C1c1nc(CCOC)n[nH]1

InChI

InChI=1S/C19H27N5O4S/c1-23-10-16(18-20-17(21-22-18)7-8-27-2)19(11-23)12-24(13-19)29(25,26)15-6-4-5-14(9-15)28-3/h4-6,9,16H,7-8,10-13H2,1-3H3,(H,20,21,22)/t16-/m1/s1

InChI Key

HZCVRHFTFUPTPE-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.966

Distribution Coefficient, logD

-3.370

Water Solubility, LogSw

-2.34

Polar Surface Area

86.439

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

11.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

SC55-0417 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC55-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC55-0417?
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What is the minimum amount of SC55-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC55-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC55-0417
  • 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 SC55-0417 available by request