C916-0253 Screening compound: 2-{[3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide

C916-0253 Screening compound: 2-{[3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
C916-0253 Screening compound: 2-{[3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C916-0253
2-{[3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]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

C916-0253

Molecular Formula

C25H29FN4OS (C25 H29 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1NC(CSC1=NC2(CCN(C)CC2)N=C1c(cc1)ccc1F)=O

InChI

InChI=1S/C25H29FN4OS/c1-17(2)18-6-10-21(11-7-18)27-22(31)16-32-24-23(19-4-8-20(26)9-5-19)28-25(29-24)12-14-30(3)15-13-25/h4-11,17H,12-16H2,1-3H3,(H,27,31)

InChI Key

CUQFBFIXRLPPBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.6

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

4.179

Distribution Coefficient, logD

1.690

Water Solubility, LogSw

-4.12

Polar Surface Area

43.707

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C916-0253 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C916-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C916-0253?
Check Price and Availability of C916-0253, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C916-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C916-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C916-0253
  • 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 C916-0253 available by request