C066-2809 Screening compound: 5-methyl-3-(4-methylphenyl)-4-oxo-N-(4-phenoxyphenyl)-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

C066-2809 Screening compound: 5-methyl-3-(4-methylphenyl)-4-oxo-N-(4-phenoxyphenyl)-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide
C066-2809 Screening compound: 5-methyl-3-(4-methylphenyl)-4-oxo-N-(4-phenoxyphenyl)-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2809
5-methyl-3-(4-methylphenyl)-4-oxo-N-(4-phenoxyphenyl)-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

C066-2809

Molecular Formula

C31H24N4O3 (C31 H24 N4 O3)

Compound Name

5-methyl-3-(4-methylphenyl)-4-oxo-N-(4-phenoxyphenyl)-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

IUPAC name

5-methyl-3-(4-methylphenyl)-4-oxo-N-(4-phenoxyphenyl)-3H4H5H-pyridazino[45-b]indole-1-carboxamide

SMILES

Cc(cc1)ccc1N(C1=O)N=C(C(Nc(cc2)ccc2Oc2ccccc2)=O)c2c1n(C)c1c2cccc1

InChI

InChI=1S/C31H24N4O3/c1-20-12-16-22(17-13-20)35-31(37)29-27(25-10-6-7-11-26(25)34(29)2)28(33-35)30(36)32-21-14-18-24(19-15-21)38-23-8-4-3-5-9-23/h3-19H,1-2H3,(H,32,36)

InChI Key

ZYPAYDZXRODHDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.274

Distribution Coefficient, logD

6.274

Water Solubility, LogSw

-5.85

Polar Surface Area

57.810

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.50

C066-2809 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C066-2809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2809?
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What is the minimum amount of C066-2809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2809
  • 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 C066-2809 available by request