C916-0420 Screening compound: N-(2-fluorophenyl)-2-{[3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide

C916-0420 Screening compound: N-(2-fluorophenyl)-2-{[3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
C916-0420 Screening compound: N-(2-fluorophenyl)-2-{[3-(4-fluorophenyl)-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 C916-0420
N-(2-fluorophenyl)-2-{[3-(4-fluorophenyl)-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

C916-0420

Molecular Formula

C22H22F2N4OS (C22 H22 F2 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)CCC1(N=C1c(cc2)ccc2F)N=C1SCC(Nc(cccc1)c1F)=O

InChI

InChI=1S/C22H22F2N4OS/c1-28-12-10-22(11-13-28)26-20(15-6-8-16(23)9-7-15)21(27-22)30-14-19(29)25-18-5-3-2-4-17(18)24/h2-9H,10-14H2,1H3,(H,25,29)

InChI Key

AWOSMVUFAIJYSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.621

Distribution Coefficient, logD

0.132

Water Solubility, LogSw

-3.10

Polar Surface Area

43.009

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C916-0420 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C916-0420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C916-0420?
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What is the minimum amount of C916-0420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C916-0420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C916-0420
  • 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 C916-0420 available by request