C916-0042 Screening compound: 2-{[3-(4-chlorophenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide

C916-0042 Screening compound: 2-{[3-(4-chlorophenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
C916-0042 Screening compound: 2-{[3-(4-chlorophenyl)-8-ethyl-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 C916-0042
2-{[3-(4-chlorophenyl)-8-ethyl-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

C916-0042

Molecular Formula

C24H27ClN4OS (C24 H27 ClN4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCC1(N=C1c(cc2)ccc2Cl)N=C1SCC(Nc1c(C)cccc1)=O

InChI

InChI=1S/C24H27ClN4OS/c1-3-29-14-12-24(13-15-29)27-22(18-8-10-19(25)11-9-18)23(28-24)31-16-21(30)26-20-7-5-4-6-17(20)2/h4-11H,3,12-16H2,1-2H3,(H,26,30)

InChI Key

CZQMOWFYQSFRTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.02

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

3.861

Distribution Coefficient, logD

1.219

Water Solubility, LogSw

-4.34

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

C916-0042 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C916-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C916-0042?
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What is the minimum amount of C916-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C916-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C916-0042
  • 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 C916-0042 available by request