C884-2611 Screening compound: 5-{4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutyl}-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C884-2611 Screening compound: 5-{4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutyl}-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C884-2611 Screening compound: 5-{4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutyl}-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-2611
5-{4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutyl}-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

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

C884-2611

Molecular Formula

C24H25N5O4 (C24 H25 N5 O4)

Compound Name

5-{4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutyl}-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

5-{4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutyl}-3-methyl-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

CN(C1=O)N=Cc2c1n(CCCC(N(CC1)CCN1C(c1ccco1)=O)=O)c1c2cccc1

InChI

InChI=1S/C24H25N5O4/c1-26-24(32)22-18(16-25-26)17-6-2-3-7-19(17)29(22)10-4-9-21(30)27-11-13-28(14-12-27)23(31)20-8-5-15-33-20/h2-3,5-8,15-16H,4,9-14H2,1H3

InChI Key

RJFDECNYKKFDLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.963

Distribution Coefficient, logD

0.963

Water Solubility, LogSw

-1.54

Polar Surface Area

70.428

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C884-2611 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 C884-2611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-2611?
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What is the minimum amount of C884-2611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-2611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-2611
  • 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 C884-2611 available by request