C498-0989 Screening compound: N-(2,3-dimethylcyclohexyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide

C498-0989 Screening compound: N-(2,3-dimethylcyclohexyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
C498-0989 Screening compound: N-(2,3-dimethylcyclohexyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-0989
N-(2,3-dimethylcyclohexyl)-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

C498-0989

Molecular Formula

C23H30N2OS (C23 H30 N2 OS)

Compound Name

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

IUPAC name

N-(23-dimethylcyclohexyl)-2-(1234-tetrahydroacridin-9-ylsulfanyl)acetamide

SMILES

CC(CCC1)C(C)C1NC(CSc1c(CCCC2)c2nc2ccccc12)=O

InChI

InChI=1S/C23H30N2OS/c1-15-8-7-13-19(16(15)2)25-22(26)14-27-23-17-9-3-5-11-20(17)24-21-12-6-4-10-18(21)23/h3,5,9,11,15-16,19H,4,6-8,10,12-14H2,1-2H3,(H,25,26)

InChI Key

OANLRFJMTGTVPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.57

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

4.885

Distribution Coefficient, logD

4.434

Water Solubility, LogSw

-4.74

Polar Surface Area

34.306

Acid Dissociation Constant (pKa)

15.39

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

56.50

C498-0989 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C498-0989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0989?
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What is the minimum amount of C498-0989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0989
  • 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 C498-0989 available by request