C598-0027 Screening compound: 2-({6-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl}sulfanyl)acetic acid

C598-0027 Screening compound: 2-({6-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl}sulfanyl)acetic acid
C598-0027 Screening compound: 2-({6-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl}sulfanyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C598-0027
2-({6-[(5-chloro-2,4-dimethoxyphenyl)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

C598-0027

Molecular Formula

C24H23ClN2O5S (C24 H23 ClN2 O5 S)

Compound Name

2-({6-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl}sulfanyl)acetic acid

IUPAC name

2-({6-[(5-chloro-24-dimethoxyphenyl)carbamoyl]-1234-tetrahydroacridin-9-yl}sulfanyl)acetic acid

SMILES

COc(c(NC(c1cc2nc(CCCC3)c3c(SCC(O)=O)c2cc1)=O)c1)cc(OC)c1Cl

InChI

InChI=1S/C24H23ClN2O5S/c1-31-20-11-21(32-2)19(10-16(20)25)27-24(30)13-7-8-15-18(9-13)26-17-6-4-3-5-14(17)23(15)33-12-22(28)29/h7-11H,3-6,12H2,1-2H3,(H,27,30)(H,28,29)

InChI Key

FPIJGQYIKXQHHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.630

Distribution Coefficient, logD

0.992

Water Solubility, LogSw

-4.64

Polar Surface Area

76.029

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C598-0027 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C598-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C598-0027?
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What is the minimum amount of C598-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C598-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C598-0027
  • 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 C598-0027 available by request