C916-0118 Screening compound: N-(2,3-dimethylphenyl)-2-{[3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide

C916-0118 Screening compound: N-(2,3-dimethylphenyl)-2-{[3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
C916-0118 Screening compound: N-(2,3-dimethylphenyl)-2-{[3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C916-0118
N-(2,3-dimethylphenyl)-2-{[3-(4-fluorophenyl)-8-methyl-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

C916-0118

Molecular Formula

C24H27FN4OS (C24 H27 FN4 OS)

Compound Name

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

IUPAC name

N-(23-dimethylphenyl)-2-{[3-(4-fluorophenyl)-8-methyl-148-triazaspiro[4.5]deca-13-dien-2-yl]sulfanyl}acetamide

SMILES

Cc1cccc(NC(CSC2=NC3(CCN(C)CC3)N=C2c(cc2)ccc2F)=O)c1C

InChI

InChI=1S/C24H27FN4OS/c1-16-5-4-6-20(17(16)2)26-21(30)15-31-23-22(18-7-9-19(25)10-8-18)27-24(28-23)11-13-29(3)14-12-24/h4-10H,11-15H2,1-3H3,(H,26,30)

InChI Key

UQUMWZBDTRZANV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.57

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

3.471

Distribution Coefficient, logD

0.982

Water Solubility, LogSw

-3.71

Polar Surface Area

43.009

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with C916-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C916-0118?
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What is the minimum amount of C916-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C916-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C916-0118
  • 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 C916-0118 available by request