C448-0974 Screening compound: N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

C448-0974 Screening compound: N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide
C448-0974 Screening compound: N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C448-0974
N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-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

C448-0974

Molecular Formula

C27H24N4O3 (C27 H24 N4 O3)

Compound Name

N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

IUPAC name

N-benzyl-3-(4-methoxyphenyl)-N5-dimethyl-4-oxo-3H4H5H-pyridazino[45-b]indole-1-carboxamide

SMILES

CN(Cc1ccccc1)C(C(c1c2n(C)c3c1cccc3)=NN(c(cc1)ccc1OC)C2=O)=O

InChI

InChI=1S/C27H24N4O3/c1-29(17-18-9-5-4-6-10-18)26(32)24-23-21-11-7-8-12-22(21)30(2)25(23)27(33)31(28-24)19-13-15-20(34-3)16-14-19/h4-16H,17H2,1-3H3

InChI Key

XLCVSCBMVJSCEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.090

Distribution Coefficient, logD

4.090

Water Solubility, LogSw

-4.44

Polar Surface Area

51.665

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

C448-0974 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C448-0974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-0974?
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What is the minimum amount of C448-0974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-0974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-0974
  • 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 C448-0974 available by request