C066-0479 Screening compound: 2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

C066-0479 Screening compound: 2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
C066-0479 Screening compound: 2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0479
2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-(6-methoxy-1,3-benzothiazol-2-yl)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

C066-0479

Molecular Formula

C26H20ClN5O5S (C26 H20 ClN5 O5 S)

Compound Name

2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

IUPAC name

2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-34-dihydrophthalazin-1-yl]formamido}-N-(6-methoxy-13-benzothiazol-2-yl)acetamide

SMILES

COc(cc1)cc2c1nc(NC(CNC(C(c1c3cccc1)=NN(c(cc1)cc(Cl)c1OC)C3=O)=O)=O)s2

InChI

InChI=1S/C26H20ClN5O5S/c1-36-15-8-9-19-21(12-15)38-26(29-19)30-22(33)13-28-24(34)23-16-5-3-4-6-17(16)25(35)32(31-23)14-7-10-20(37-2)18(27)11-14/h3-12H,13H2,1-2H3,(H,28,34)(H,29,30,33)

InChI Key

YYDUTIWLKRMZML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.99

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.497

Distribution Coefficient, logD

4.497

Water Solubility, LogSw

-4.72

Polar Surface Area

98.546

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

C066-0479 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Therapeutical Diversity Annotated Library (7563 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C066-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0479?
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What is the minimum amount of C066-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0479
  • 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 C066-0479 available by request