C880-1425 Screening compound: N-cyclopentyl-2-{5-[(2,5-dimethylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

C880-1425 Screening compound: N-cyclopentyl-2-{5-[(2,5-dimethylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide
C880-1425 Screening compound: N-cyclopentyl-2-{5-[(2,5-dimethylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-1425
N-cyclopentyl-2-{5-[(2,5-dimethylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

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

C880-1425

Molecular Formula

C26H28N4O2 (C26 H28 N4 O2)

Compound Name

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

IUPAC name

N-cyclopentyl-2-{5-[(25-dimethylphenyl)methyl]-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}acetamide

SMILES

Cc1cc(Cn2c(C(N(CC(NC3CCCC3)=O)N=C3)=O)c3c3c2cccc3)c(C)cc1

InChI

InChI=1S/C26H28N4O2/c1-17-11-12-18(2)19(13-17)15-29-23-10-6-5-9-21(23)22-14-27-30(26(32)25(22)29)16-24(31)28-20-7-3-4-8-20/h5-6,9-14,20H,3-4,7-8,15-16H2,1-2H3,(H,28,31)

InChI Key

OSHIGCUVQMDJBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

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

4.799

Distribution Coefficient, logD

4.799

Water Solubility, LogSw

-4.81

Polar Surface Area

53.634

Acid Dissociation Constant (pKa)

16.73

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C880-1425 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 C880-1425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-1425?
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What is the minimum amount of C880-1425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-1425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-1425
  • 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 C880-1425 available by request