C916-0744 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-chlorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide

C916-0744 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-chlorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
C916-0744 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-chlorophenyl)-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 C916-0744
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-chlorophenyl)-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

C916-0744

Molecular Formula

C23H23ClN4O3S (C23 H23 ClN4 O3 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-chlorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{[3-(4-chlorophenyl)-8-methyl-148-triazaspiro[4.5]deca-13-dien-2-yl]sulfanyl}acetamide

SMILES

CN(CC1)CCC1(N=C1c(cc2)ccc2Cl)N=C1SCC(Nc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C23H23ClN4O3S/c1-28-10-8-23(9-11-28)26-21(15-2-4-16(24)5-3-15)22(27-23)32-13-20(29)25-17-6-7-18-19(12-17)31-14-30-18/h2-7,12H,8-11,13-14H2,1H3,(H,25,29)

InChI Key

WQFAORZBMLQLLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.239

Distribution Coefficient, logD

0.750

Water Solubility, LogSw

-3.82

Polar Surface Area

60.822

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C916-0744 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 C916-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C916-0744?
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What is the minimum amount of C916-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C916-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C916-0744
  • 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 C916-0744 available by request