C916-0701 Screening compound: N-(4-ethoxyphenyl)-2-{[3-(4-methoxyphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide

C916-0701 Screening compound: N-(4-ethoxyphenyl)-2-{[3-(4-methoxyphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
C916-0701 Screening compound: N-(4-ethoxyphenyl)-2-{[3-(4-methoxyphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C916-0701
N-(4-ethoxyphenyl)-2-{[3-(4-methoxyphenyl)-8-methyl-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

C916-0701

Molecular Formula

C25H30N4O3S (C25 H30 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CSC1=NC2(CCN(C)CC2)N=C1c(cc1)ccc1OC)=O

InChI

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

InChI Key

GFGNQGSHOJMRIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967206

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

3.163

Distribution Coefficient, logD

0.674

Water Solubility, LogSw

-3.52

Polar Surface Area

58.374

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with C916-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C916-0701?
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What is the minimum amount of C916-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C916-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C916-0701
  • 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 C916-0701 available by request