C884-1488 Screening compound: N-[(3-chlorophenyl)methyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

C884-1488 Screening compound: N-[(3-chlorophenyl)methyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide
C884-1488 Screening compound: N-[(3-chlorophenyl)methyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-1488
N-[(3-chlorophenyl)methyl]-2-{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

C884-1488

Molecular Formula

C22H21ClN4O2 (C22 H21 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(NCc1cccc(Cl)c1)=O)n1c(C(N(C)N=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C22H21ClN4O2/c1-3-18(21(28)24-12-14-7-6-8-15(23)11-14)27-19-10-5-4-9-16(19)17-13-25-26(2)22(29)20(17)27/h4-11,13,18H,3,12H2,1-2H3,(H,24,28)/t18-/m0/s1

InChI Key

PBWMYJZJONOJFH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD26966822

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

3.368

Distribution Coefficient, logD

3.368

Water Solubility, LogSw

-3.69

Polar Surface Area

53.987

Acid Dissociation Constant (pKa)

12.50

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 C884-1488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-1488?
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What is the minimum amount of C884-1488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-1488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-1488
  • 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 C884-1488 available by request