C916-0557 Screening compound: N-(5-chloro-2-methylphenyl)-2-{[8-ethyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide

C916-0557 Screening compound: N-(5-chloro-2-methylphenyl)-2-{[8-ethyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
C916-0557 Screening compound: N-(5-chloro-2-methylphenyl)-2-{[8-ethyl-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 C916-0557
N-(5-chloro-2-methylphenyl)-2-{[8-ethyl-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

C916-0557

Molecular Formula

C25H29ClN4OS (C25 H29 ClN4 OS)

Compound Name

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

IUPAC name

N-(5-chloro-2-methylphenyl)-2-{[8-ethyl-3-(4-methylphenyl)-148-triazaspiro[4.5]deca-13-dien-2-yl]sulfanyl}acetamide

SMILES

CCN(CC1)CCC1(N=C1c2ccc(C)cc2)N=C1SCC(Nc1c(C)ccc(Cl)c1)=O

InChI

InChI=1S/C25H29ClN4OS/c1-4-30-13-11-25(12-14-30)28-23(19-8-5-17(2)6-9-19)24(29-25)32-16-22(31)27-21-15-20(26)10-7-18(21)3/h5-10,15H,4,11-14,16H2,1-3H3,(H,27,31)

InChI Key

DNZXPTXLTJKUCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.05

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

4.352

Distribution Coefficient, logD

1.710

Water Solubility, LogSw

-4.41

Polar Surface Area

43.069

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

10.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C916-0557 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 C916-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C916-0557?
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What is the minimum amount of C916-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C916-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C916-0557
  • 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 C916-0557 available by request