C598-0026 Screening compound: 2-({6-[(3,4,5-trimethoxyphenyl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl}sulfanyl)acetic acid

C598-0026 Screening compound: 2-({6-[(3,4,5-trimethoxyphenyl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl}sulfanyl)acetic acid
C598-0026 Screening compound: 2-({6-[(3,4,5-trimethoxyphenyl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl}sulfanyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C598-0026
2-({6-[(3,4,5-trimethoxyphenyl)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

C598-0026

Molecular Formula

C25H26N2O6S (C25 H26 N2 O6 S)

Compound Name

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

IUPAC name

2-({6-[(345-trimethoxyphenyl)carbamoyl]-1234-tetrahydroacridin-9-yl}sulfanyl)acetic acid

SMILES

COc1cc(NC(c2ccc3c(SCC(O)=O)c(CCCC4)c4nc3c2)=O)cc(OC)c1OC

InChI

InChI=1S/C25H26N2O6S/c1-31-20-11-15(12-21(32-2)23(20)33-3)26-25(30)14-8-9-17-19(10-14)27-18-7-5-4-6-16(18)24(17)34-13-22(28)29/h8-12H,4-7,13H2,1-3H3,(H,26,30)(H,28,29)

InChI Key

MXAHTLASVYQHPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.514

Distribution Coefficient, logD

-0.124

Water Solubility, LogSw

-4.10

Polar Surface Area

84.444

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C598-0026 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C598-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C598-0026?
Check Price and Availability of C598-0026, 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 C598-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C598-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C598-0026
  • 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 C598-0026 available by request