C916-0001 Screening compound: 2-({8-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl}sulfanyl)-N-phenylacetamide

C916-0001 Screening compound: 2-({8-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl}sulfanyl)-N-phenylacetamide
C916-0001 Screening compound: 2-({8-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl}sulfanyl)-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C916-0001
2-({8-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl}sulfanyl)-N-phenylacetamide

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

C916-0001

Molecular Formula

C22H24N4OS (C22 H24 N4 OS)

Compound Name

2-({8-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl}sulfanyl)-N-phenylacetamide

IUPAC name

2-({8-methyl-3-phenyl-148-triazaspiro[4.5]deca-13-dien-2-yl}sulfanyl)-N-phenylacetamide

SMILES

CN(CC1)CCC1(N=C1c2ccccc2)N=C1SCC(Nc1ccccc1)=O

InChI

InChI=1S/C22H24N4OS/c1-26-14-12-22(13-15-26)24-20(17-8-4-2-5-9-17)21(25-22)28-16-19(27)23-18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H,23,27)

InChI Key

FMRJUZBEPDXNJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.515

Distribution Coefficient, logD

0.026

Water Solubility, LogSw

-2.83

Polar Surface Area

43.707

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with C916-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C916-0001?
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What is the minimum amount of C916-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C916-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C916-0001
  • 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 C916-0001 available by request