C884-2609 Screening compound: ethyl 1-[4-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanoyl]-3-piperidinecarboxylate

C884-2609 Screening compound: ethyl 1-[4-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanoyl]-3-piperidinecarboxylate
C884-2609 Screening compound: ethyl 1-[4-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanoyl]-3-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-2609
ethyl 1-[4-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanoyl]-3-piperidinecarboxylate

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

C884-2609

Molecular Formula

C23H28N4O4 (C23 H28 N4 O4)

Compound Name

ethyl 1-[4-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanoyl]-3-piperidinecarboxylate

IUPAC name

ethyl 1-(4-{3-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl}butanoyl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(CCCn1c(C(N(C)N=C2)=O)c2c2c1cccc2)=O)=O

InChI

InChI=1S/C23H28N4O4/c1-3-31-23(30)16-8-6-12-26(15-16)20(28)11-7-13-27-19-10-5-4-9-17(19)18-14-24-25(2)22(29)21(18)27/h4-5,9-10,14,16H,3,6-8,11-13,15H2,1-2H3/t16-/m0/s1

InChI Key

MRIYKHGFWNMMJA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD26966905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.735

Distribution Coefficient, logD

1.735

Water Solubility, LogSw

-2.01

Polar Surface Area

66.080

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.83

C884-2609 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C884-2609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-2609?
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What is the minimum amount of C884-2609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-2609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-2609
  • 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 C884-2609 available by request