C598-0016 Screening compound: 2-({6-[(3-chloro-4-methoxyphenyl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl}sulfanyl)acetic acid

C598-0016 Screening compound: 2-({6-[(3-chloro-4-methoxyphenyl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl}sulfanyl)acetic acid
C598-0016 Screening compound: 2-({6-[(3-chloro-4-methoxyphenyl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl}sulfanyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C598-0016
2-({6-[(3-chloro-4-methoxyphenyl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl}sulfanyl)acetic 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

C598-0016

Molecular Formula

C23H21ClN2O4S (C23 H21 ClN2 O4 S)

Compound Name

2-({6-[(3-chloro-4-methoxyphenyl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl}sulfanyl)acetic acid

IUPAC name

2-({6-[(3-chloro-4-methoxyphenyl)carbamoyl]-1234-tetrahydroacridin-9-yl}sulfanyl)acetic acid

SMILES

COc(ccc(NC(c1cc2nc(CCCC3)c3c(SCC(O)=O)c2cc1)=O)c1)c1Cl

InChI

InChI=1S/C23H21ClN2O4S/c1-30-20-9-7-14(11-17(20)24)25-23(29)13-6-8-16-19(10-13)26-18-5-3-2-4-15(18)22(16)31-12-21(27)28/h6-11H,2-5,12H2,1H3,(H,25,29)(H,27,28)

InChI Key

RBTSSADSPFNVKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.644

Distribution Coefficient, logD

1.006

Water Solubility, LogSw

-4.62

Polar Surface Area

69.096

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C598-0016 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Antifungal Library (16415 compounds)

RAR (Nuclear receptors) Ligands Library (6524 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
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Agro:
  • Agro
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C598-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C598-0016?
Check Price and Availability of C598-0016, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C598-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C598-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C598-0016
  • 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 C598-0016 available by request