C884-1622 Screening compound: 2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[2-(morpholin-4-yl)ethyl]butanamide

C884-1622 Screening compound: 2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[2-(morpholin-4-yl)ethyl]butanamide
C884-1622 Screening compound: 2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[2-(morpholin-4-yl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-1622
2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[2-(morpholin-4-yl)ethyl]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

C884-1622

Molecular Formula

C21H27N5O3 (C21 H27 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(NCCN1CCOCC1)=O)n1c(C(N(C)N=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C21H27N5O3/c1-3-17(20(27)22-8-9-25-10-12-29-13-11-25)26-18-7-5-4-6-15(18)16-14-23-24(2)21(28)19(16)26/h4-7,14,17H,3,8-13H2,1-2H3,(H,22,27)/t17-/m0/s1

InChI Key

NWPZHLXKBAGFLO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD26966860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.983

Distribution Coefficient, logD

0.926

Water Solubility, LogSw

-1.96

Polar Surface Area

65.720

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

C884-1622 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C884-1622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-1622?
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What is the minimum amount of C884-1622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-1622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-1622
  • 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 C884-1622 available by request