C498-0953 Screening compound: N-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide

C498-0953 Screening compound: N-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
C498-0953 Screening compound: N-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-0953
N-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)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

C498-0953

Molecular Formula

C22H21FN2OS (C22 H21 FN2 OS)

Compound Name

N-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide

IUPAC name

N-(3-fluoro-4-methylphenyl)-2-(1234-tetrahydroacridin-9-ylsulfanyl)acetamide

SMILES

Cc(ccc(NC(CSc1c(CCCC2)c2nc2ccccc12)=O)c1)c1F

InChI

InChI=1S/C22H21FN2OS/c1-14-10-11-15(12-18(14)23)24-21(26)13-27-22-16-6-2-4-8-19(16)25-20-9-5-3-7-17(20)22/h2,4,6,8,10-12H,3,5,7,9,13H2,1H3,(H,24,26)

InChI Key

ZXKVXSMSUNSBFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.497

Distribution Coefficient, logD

5.046

Water Solubility, LogSw

-5.53

Polar Surface Area

32.868

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C498-0953 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C498-0953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0953?
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What is the minimum amount of C498-0953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0953
  • 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 C498-0953 available by request