C448-1011 Screening compound: ethyl 2-{[3-(4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-1-yl]formamido}acetate

C448-1011 Screening compound: ethyl 2-{[3-(4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-1-yl]formamido}acetate
C448-1011 Screening compound: ethyl 2-{[3-(4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-1-yl]formamido}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C448-1011
ethyl 2-{[3-(4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-1-yl]formamido}acetate

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

C448-1011

Molecular Formula

C23H22N4O5 (C23 H22 N4 O5)

Compound Name

ethyl 2-{[3-(4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-1-yl]formamido}acetate

IUPAC name

ethyl 2-{[3-(4-methoxyphenyl)-5-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-1-yl]formamido}acetate

SMILES

CCOC(CNC(C(c1c2n(C)c3c1cccc3)=NN(c(cc1)ccc1OC)C2=O)=O)=O

InChI

InChI=1S/C23H22N4O5/c1-4-32-18(28)13-24-22(29)20-19-16-7-5-6-8-17(16)26(2)21(19)23(30)27(25-20)14-9-11-15(31-3)12-10-14/h5-12H,4,13H2,1-3H3,(H,24,29)

InChI Key

KKAALMBJQZMZMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.587

Distribution Coefficient, logD

2.587

Water Solubility, LogSw

-2.91

Polar Surface Area

80.358

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C448-1011 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C448-1011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-1011?
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What is the minimum amount of C448-1011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-1011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-1011
  • 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 C448-1011 available by request