C884-2656 Screening compound: N-[(4-chlorophenyl)methyl]-4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

C884-2656 Screening compound: N-[(4-chlorophenyl)methyl]-4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide
C884-2656 Screening compound: N-[(4-chlorophenyl)methyl]-4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-2656
N-[(4-chlorophenyl)methyl]-4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

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

C884-2656

Molecular Formula

C22H21ClN4O2 (C22 H21 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(C1=O)N=Cc2c1n(CCCC(NCc(cc1)ccc1Cl)=O)c1c2cccc1

InChI

InChI=1S/C22H21ClN4O2/c1-26-22(29)21-18(14-25-26)17-5-2-3-6-19(17)27(21)12-4-7-20(28)24-13-15-8-10-16(23)11-9-15/h2-3,5-6,8-11,14H,4,7,12-13H2,1H3,(H,24,28)

InChI Key

UECLVYLEAXXNFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.644

Distribution Coefficient, logD

2.644

Water Solubility, LogSw

-3.44

Polar Surface Area

53.472

Acid Dissociation Constant (pKa)

11.64

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with C884-2656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-2656?
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What is the minimum amount of C884-2656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-2656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-2656
  • 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 C884-2656 available by request