C884-0669 Screening compound: N-[(4-chlorophenyl)methyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}propanamide

C884-0669 Screening compound: N-[(4-chlorophenyl)methyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}propanamide
C884-0669 Screening compound: N-[(4-chlorophenyl)methyl]-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 C884-0669
N-[(4-chlorophenyl)methyl]-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

C884-0669

Molecular Formula

C21H19ClN4O2 (C21 H19 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H19ClN4O2/c1-13(20(27)23-11-14-7-9-15(22)10-8-14)26-18-6-4-3-5-16(18)17-12-24-25(2)21(28)19(17)26/h3-10,12-13H,11H2,1-2H3,(H,23,27)/t13-/m0/s1

InChI Key

YVESVDCZBPQOIE-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD26966688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.509

Distribution Coefficient, logD

2.508

Water Solubility, LogSw

-3.25

Polar Surface Area

54.403

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

C884-0669 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C884-0669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-0669?
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What is the minimum amount of C884-0669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-0669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-0669
  • 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 C884-0669 available by request