C448-1462 Screening compound: methyl 2-[5-methyl-3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-amido]benzoate

C448-1462 Screening compound: methyl 2-[5-methyl-3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-amido]benzoate
C448-1462 Screening compound: methyl 2-[5-methyl-3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C448-1462
methyl 2-[5-methyl-3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-amido]benzoate

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

C448-1462

Molecular Formula

C27H22N4O4 (C27 H22 N4 O4)

Compound Name

methyl 2-[5-methyl-3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-amido]benzoate

IUPAC name

methyl 2-[5-methyl-3-(4-methylphenyl)-4-oxo-3H4H5H-pyridazino[45-b]indole-1-amido]benzoate

SMILES

Cc(cc1)ccc1N(C1=O)N=C(C(Nc(cccc2)c2C(OC)=O)=O)c2c1n(C)c1c2cccc1

InChI

InChI=1S/C27H22N4O4/c1-16-12-14-17(15-13-16)31-26(33)24-22(19-9-5-7-11-21(19)30(24)2)23(29-31)25(32)28-20-10-6-4-8-18(20)27(34)35-3/h4-15H,1-3H3,(H,28,32)

InChI Key

RELAOCOIQQEWKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.507

Distribution Coefficient, logD

4.334

Water Solubility, LogSw

-4.47

Polar Surface Area

71.538

Acid Dissociation Constant (pKa)

7.71

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with C448-1462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-1462?
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What is the minimum amount of C448-1462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-1462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-1462
  • 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 C448-1462 available by request