C916-0168 Screening compound: N-(3,5-dimethylphenyl)-2-{[8-methyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide

C916-0168 Screening compound: N-(3,5-dimethylphenyl)-2-{[8-methyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
C916-0168 Screening compound: N-(3,5-dimethylphenyl)-2-{[8-methyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C916-0168
N-(3,5-dimethylphenyl)-2-{[8-methyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide

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

C916-0168

Molecular Formula

C25H30N4OS (C25 H30 N4 OS)

Compound Name

N-(3,5-dimethylphenyl)-2-{[8-methyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide

IUPAC name

N-(35-dimethylphenyl)-2-{[8-methyl-3-(4-methylphenyl)-148-triazaspiro[4.5]deca-13-dien-2-yl]sulfanyl}acetamide

SMILES

Cc(cc1)ccc1C1=NC2(CCN(C)CC2)N=C1SCC(Nc1cc(C)cc(C)c1)=O

InChI

InChI=1S/C25H30N4OS/c1-17-5-7-20(8-6-17)23-24(28-25(27-23)9-11-29(4)12-10-25)31-16-22(30)26-21-14-18(2)13-19(3)15-21/h5-8,13-15H,9-12,16H2,1-4H3,(H,26,30)

InChI Key

URELLOJXQFWUFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.61

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

3.928

Distribution Coefficient, logD

1.439

Water Solubility, LogSw

-3.88

Polar Surface Area

43.707

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with C916-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C916-0168?
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What is the minimum amount of C916-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C916-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C916-0168
  • 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 C916-0168 available by request