C800-0010 Screening compound: 7-[(4-{[(4-chlorophenyl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1,2,3,4-tetrahydroacridine-9-carboxylic acid

C800-0010 Screening compound: 7-[(4-{[(4-chlorophenyl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1,2,3,4-tetrahydroacridine-9-carboxylic acid
C800-0010 Screening compound: 7-[(4-{[(4-chlorophenyl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1,2,3,4-tetrahydroacridine-9-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0010
7-[(4-{[(4-chlorophenyl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1,2,3,4-tetrahydroacridine-9-carboxylic acid

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

C800-0010

Molecular Formula

C27H28ClN3O5S (C27 H28 ClN3 O5 S)

Compound Name

7-[(4-{[(4-chlorophenyl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1,2,3,4-tetrahydroacridine-9-carboxylic acid

IUPAC name

7-[(4-{[(4-chlorophenyl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1234-tetrahydroacridine-9-carboxylic acid

SMILES

OC(c1c(cc(cc2)S(N(CC3)CCC3C(NCc(cc3)ccc3Cl)=O)(=O)=O)c2nc2c1CCCC2)=O

InChI

InChI=1S/C27H28ClN3O5S/c28-19-7-5-17(6-8-19)16-29-26(32)18-11-13-31(14-12-18)37(35,36)20-9-10-24-22(15-20)25(27(33)34)21-3-1-2-4-23(21)30-24/h5-10,15,18H,1-4,11-14,16H2,(H,29,32)(H,33,34)

InChI Key

WKCMXVPORNJLCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.06

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.231

Distribution Coefficient, logD

1.202

Water Solubility, LogSw

-4.67

Polar Surface Area

94.523

Acid Dissociation Constant (pKa)

4.37

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C800-0010 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C800-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0010?
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What is the minimum amount of C800-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0010
  • 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 C800-0010 available by request