C884-0672 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}propanamide

C884-0672 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}propanamide
C884-0672 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-0672
N-[2-(4-chlorophenyl)ethyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}propanamide

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

C884-0672

Molecular Formula

C22H21ClN4O2 (C22 H21 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C(NCCc(cc1)ccc1Cl)=O)n1c(C(N(C)N=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C22H21ClN4O2/c1-14(21(28)24-12-11-15-7-9-16(23)10-8-15)27-19-6-4-3-5-17(19)18-13-25-26(2)22(29)20(18)27/h3-10,13-14H,11-12H2,1-2H3,(H,24,28)/t14-/m0/s1

InChI Key

HWQPDAQWEXSANL-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD26966689

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

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.682

Distribution Coefficient, logD

2.682

Water Solubility, LogSw

-3.50

Polar Surface Area

54.244

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with C884-0672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-0672?
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What is the minimum amount of C884-0672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-0672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-0672
  • 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 C884-0672 available by request