C066-0463 Screening compound: N-(1,3-benzothiazol-2-yl)-2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide

C066-0463 Screening compound: N-(1,3-benzothiazol-2-yl)-2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide
C066-0463 Screening compound: N-(1,3-benzothiazol-2-yl)-2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0463
N-(1,3-benzothiazol-2-yl)-2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide

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

C066-0463

Molecular Formula

C25H18ClN5O4S (C25 H18 ClN5 O4 S)

Compound Name

N-(1,3-benzothiazol-2-yl)-2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide

IUPAC name

N-(13-benzothiazol-2-yl)-2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-34-dihydrophthalazin-1-yl]formamido}acetamide

SMILES

COc(ccc(N1N=C(C(NCC(Nc2nc(cccc3)c3s2)=O)=O)c(cccc2)c2C1=O)c1)c1Cl

InChI

InChI=1S/C25H18ClN5O4S/c1-35-19-11-10-14(12-17(19)26)31-24(34)16-7-3-2-6-15(16)22(30-31)23(33)27-13-21(32)29-25-28-18-8-4-5-9-20(18)36-25/h2-12H,13H2,1H3,(H,27,33)(H,28,29,32)

InChI Key

ZRCZLXMKLOTUOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.441

Distribution Coefficient, logD

4.441

Water Solubility, LogSw

-4.61

Polar Surface Area

91.002

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

C066-0463 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C066-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0463?
Check Price and Availability of C066-0463, 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 C066-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0463
  • 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 C066-0463 available by request