C916-0093 Screening compound: 2-{[8-ethyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide

C916-0093 Screening compound: 2-{[8-ethyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
C916-0093 Screening compound: 2-{[8-ethyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C916-0093
2-{[8-ethyl-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-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

C916-0093

Molecular Formula

C25H30N4OS (C25 H30 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCC1(N=C1c2ccc(C)cc2)N=C1SCC(Nc1ccc(C)cc1)=O

InChI

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

InChI Key

ZZDQSYOPXAKYCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967020

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

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.318

Distribution Coefficient, logD

1.676

Water Solubility, LogSw

-3.99

Polar Surface Area

43.767

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

10.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with C916-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C916-0093?
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What is the minimum amount of C916-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C916-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C916-0093
  • 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 C916-0093 available by request