C916-0666 Screening compound: 2-{[8-ethyl-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide

C916-0666 Screening compound: 2-{[8-ethyl-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
C916-0666 Screening compound: 2-{[8-ethyl-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C916-0666
2-{[8-ethyl-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-methoxyphenyl)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

C916-0666

Molecular Formula

C25H30N4O3S (C25 H30 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCC1(N=C1c(cc2)ccc2OC)N=C1SCC(Nc1cc(OC)ccc1)=O

InChI

InChI=1S/C25H30N4O3S/c1-4-29-14-12-25(13-15-29)27-23(18-8-10-20(31-2)11-9-18)24(28-25)33-17-22(30)26-19-6-5-7-21(16-19)32-3/h5-11,16H,4,12-15,17H2,1-3H3,(H,26,30)

InChI Key

ITZPXIYNLYJDDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.520

Distribution Coefficient, logD

0.878

Water Solubility, LogSw

-3.73

Polar Surface Area

58.855

Acid Dissociation Constant (pKa)

11.88

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 C916-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C916-0666?
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What is the minimum amount of C916-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C916-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C916-0666
  • 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 C916-0666 available by request