C916-0002 Screening compound: 2-{[8-methyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-phenylacetamide

C916-0002 Screening compound: 2-{[8-methyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-phenylacetamide
C916-0002 Screening compound: 2-{[8-methyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C916-0002
2-{[8-methyl-3-(4-methylphenyl)-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

C916-0002

Molecular Formula

C23H26N4OS (C23 H26 N4 OS)

Compound Name

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

IUPAC name

2-{[8-methyl-3-(4-methylphenyl)-148-triazaspiro[4.5]deca-13-dien-2-yl]sulfanyl}-N-phenylacetamide

SMILES

Cc(cc1)ccc1C1=NC2(CCN(C)CC2)N=C1SCC(Nc1ccccc1)=O

InChI

InChI=1S/C23H26N4OS/c1-17-8-10-18(11-9-17)21-22(26-23(25-21)12-14-27(2)15-13-23)29-16-20(28)24-19-6-4-3-5-7-19/h3-11H,12-16H2,1-2H3,(H,24,28)

InChI Key

NHVMNUZERZHEQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.55

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

3.043

Distribution Coefficient, logD

0.554

Water Solubility, LogSw

-3.45

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

34.80

References: we are preparing a list of scientific research reports with C916-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C916-0002?
Check Price and Availability of C916-0002, 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 C916-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C916-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C916-0002
  • 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 C916-0002 available by request