C507-0003 Screening compound: N-(1,3-benzothiazol-2-yl)-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

C507-0003 Screening compound: N-(1,3-benzothiazol-2-yl)-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide
C507-0003 Screening compound: N-(1,3-benzothiazol-2-yl)-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C507-0003
N-(1,3-benzothiazol-2-yl)-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

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

C507-0003

Molecular Formula

C26H18ClN5O3S (C26 H18 ClN5 O3 S)

Compound Name

N-(1,3-benzothiazol-2-yl)-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

IUPAC name

N-(13-benzothiazol-2-yl)-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H4H5H-pyridazino[45-b]indole-1-carboxamide

SMILES

Cn(c1c2cccc1)c1c2C(C(Nc2nc(cccc3)c3s2)=O)=NN(c(cc2)cc(Cl)c2OC)C1=O

InChI

InChI=1S/C26H18ClN5O3S/c1-31-18-9-5-3-7-15(18)21-22(24(33)29-26-28-17-8-4-6-10-20(17)36-26)30-32(25(34)23(21)31)14-11-12-19(35-2)16(27)13-14/h3-13H,1-2H3,(H,28,29,33)

InChI Key

HSSNTVANJQENSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.410

Distribution Coefficient, logD

5.409

Water Solubility, LogSw

-6.25

Polar Surface Area

68.454

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

C507-0003 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C507-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C507-0003?
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What is the minimum amount of C507-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C507-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C507-0003
  • 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 C507-0003 available by request