C916-0422 Screening compound: 2-({8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl}sulfanyl)-N-(2-fluorophenyl)acetamide

C916-0422 Screening compound: 2-({8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
C916-0422 Screening compound: 2-({8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl}sulfanyl)-N-(2-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C916-0422
2-({8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl}sulfanyl)-N-(2-fluorophenyl)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

C916-0422

Molecular Formula

C23H25FN4OS (C23 H25 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCC1(N=C1c2ccccc2)N=C1SCC(Nc(cccc1)c1F)=O

InChI

InChI=1S/C23H25FN4OS/c1-2-28-14-12-23(13-15-28)26-21(17-8-4-3-5-9-17)22(27-23)30-16-20(29)25-19-11-7-6-10-18(19)24/h3-11H,2,12-16H2,1H3,(H,25,29)

InChI Key

FEPOCDAIGMUTMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.54

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

3.146

Distribution Coefficient, logD

0.504

Water Solubility, LogSw

-3.26

Polar Surface Area

43.069

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

10.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with C916-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C916-0422?
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What is the minimum amount of C916-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C916-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C916-0422
  • 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 C916-0422 available by request