C598-0063 Screening compound: 2-{[6-(cycloheptylcarbamoyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl}acetic acid

C598-0063 Screening compound: 2-{[6-(cycloheptylcarbamoyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl}acetic acid
C598-0063 Screening compound: 2-{[6-(cycloheptylcarbamoyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C598-0063
2-{[6-(cycloheptylcarbamoyl)-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

C598-0063

Molecular Formula

C23H28N2O3S (C23 H28 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

OC(CSc1c(CCCC2)c2nc2cc(C(NC3CCCCCC3)=O)ccc12)=O

InChI

InChI=1S/C23H28N2O3S/c26-21(27)14-29-22-17-9-5-6-10-19(17)25-20-13-15(11-12-18(20)22)23(28)24-16-7-3-1-2-4-8-16/h11-13,16H,1-10,14H2,(H,24,28)(H,26,27)

InChI Key

HTARCKUJEDZNKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.628

Distribution Coefficient, logD

0.990

Water Solubility, LogSw

-4.58

Polar Surface Area

62.844

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

6.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

C598-0063 in Drug Discovery

Included in Screening Libraries

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

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C598-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C598-0063?
Check Price and Availability of C598-0063, 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 C598-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C598-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C598-0063
  • 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 C598-0063 available by request