C880-2639 Screening compound: 2-{5-[(4-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(2-methoxyphenyl)methyl]acetamide

C880-2639 Screening compound: 2-{5-[(4-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(2-methoxyphenyl)methyl]acetamide
C880-2639 Screening compound: 2-{5-[(4-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(2-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-2639
2-{5-[(4-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(2-methoxyphenyl)methyl]acetamide

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

C880-2639

Molecular Formula

C27H23ClN4O3 (C27 H23 ClN4 O3)

Compound Name

2-{5-[(4-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(2-methoxyphenyl)methyl]acetamide

IUPAC name

2-{5-[(4-chlorophenyl)methyl]-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}-N-[(2-methoxyphenyl)methyl]acetamide

SMILES

COc1c(CNC(CN(C2=O)N=Cc3c2n(Cc(cc2)ccc2Cl)c2c3cccc2)=O)cccc1

InChI

InChI=1S/C27H23ClN4O3/c1-35-24-9-5-2-6-19(24)14-29-25(33)17-32-27(34)26-22(15-30-32)21-7-3-4-8-23(21)31(26)16-18-10-12-20(28)13-11-18/h2-13,15H,14,16-17H2,1H3,(H,29,33)

InChI Key

QZGYYHASXLPYGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.666

Distribution Coefficient, logD

4.666

Water Solubility, LogSw

-4.88

Polar Surface Area

61.173

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with C880-2639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-2639?
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What is the minimum amount of C880-2639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-2639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-2639
  • 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 C880-2639 available by request