C498-0971 Screening compound: N-(butan-2-yl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide

C498-0971 Screening compound: N-(butan-2-yl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
C498-0971 Screening compound: N-(butan-2-yl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-0971
N-(butan-2-yl)-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

C498-0971

Molecular Formula

C19H24N2OS (C19 H24 N2 OS)

Compound Name

N-(butan-2-yl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide

IUPAC name

N-(butan-2-yl)-2-(1234-tetrahydroacridin-9-ylsulfanyl)acetamide

SMILES

CCC(C)NC(CSc1c(CCCC2)c2nc2ccccc12)=O

InChI

InChI=1S/C19H24N2OS/c1-3-13(2)20-18(22)12-23-19-14-8-4-6-10-16(14)21-17-11-7-5-9-15(17)19/h4,6,8,10,13H,3,5,7,9,11-12H2,1-2H3,(H,20,22)/t13-/m0/s1

InChI Key

AIDBRCVGTTYMAG-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14762320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.994

Distribution Coefficient, logD

3.543

Water Solubility, LogSw

-4.02

Polar Surface Area

33.903

Acid Dissociation Constant (pKa)

15.91

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

C498-0971 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C498-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0971?
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What is the minimum amount of C498-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0971
  • 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 C498-0971 available by request