C916-0036 Screening compound: 2-({8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl}sulfanyl)-N-(2-methylphenyl)acetamide

C916-0036 Screening compound: 2-({8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl}sulfanyl)-N-(2-methylphenyl)acetamide
C916-0036 Screening compound: 2-({8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl}sulfanyl)-N-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C916-0036
2-({8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl}sulfanyl)-N-(2-methylphenyl)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

C916-0036

Molecular Formula

C24H28N4OS (C24 H28 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCC1(N=C1c2ccccc2)N=C1SCC(Nc1c(C)cccc1)=O

InChI

InChI=1S/C24H28N4OS/c1-3-28-15-13-24(14-16-28)26-22(19-10-5-4-6-11-19)23(27-24)30-17-21(29)25-20-12-8-7-9-18(20)2/h4-12H,3,13-17H2,1-2H3,(H,25,29)

InChI Key

UFQXICNLJAWTGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.161

Distribution Coefficient, logD

0.519

Water Solubility, LogSw

-3.11

Polar Surface Area

43.069

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

10.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with C916-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C916-0036?
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What is the minimum amount of C916-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C916-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C916-0036
  • 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 C916-0036 available by request