C498-1010 Screening compound: ethyl 4-[2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetyl]piperazine-1-carboxylate

C498-1010 Screening compound: ethyl 4-[2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetyl]piperazine-1-carboxylate
C498-1010 Screening compound: ethyl 4-[2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-1010
ethyl 4-[2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetyl]piperazine-1-carboxylate

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

C498-1010

Molecular Formula

C22H27N3O3S (C22 H27 N3 O3 S)

Compound Name

ethyl 4-[2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[2-(1234-tetrahydroacridin-9-ylsulfanyl)acetyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(CSc1c(CCCC2)c2nc2ccccc12)=O)=O

InChI

InChI=1S/C22H27N3O3S/c1-2-28-22(27)25-13-11-24(12-14-25)20(26)15-29-21-16-7-3-5-9-18(16)23-19-10-6-4-8-17(19)21/h3,5,7,9H,2,4,6,8,10-15H2,1H3

InChI Key

MRCLYVICBJPCRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.648

Distribution Coefficient, logD

3.197

Water Solubility, LogSw

-3.87

Polar Surface Area

48.892

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C498-1010 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

CNS Targets (44014 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C498-1010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-1010?
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What is the minimum amount of C498-1010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-1010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-1010
  • 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 C498-1010 available by request