C880-0863 Screening compound: N-cyclopentyl-2-{5-[(2-methylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

C880-0863 Screening compound: N-cyclopentyl-2-{5-[(2-methylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide
C880-0863 Screening compound: N-cyclopentyl-2-{5-[(2-methylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-0863
N-cyclopentyl-2-{5-[(2-methylphenyl)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

C880-0863

Molecular Formula

C25H26N4O2 (C25 H26 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cn2c(C(N(CC(NC3CCCC3)=O)N=C3)=O)c3c3c2cccc3)cccc1

InChI

InChI=1S/C25H26N4O2/c1-17-8-2-3-9-18(17)15-28-22-13-7-6-12-20(22)21-14-26-29(25(31)24(21)28)16-23(30)27-19-10-4-5-11-19/h2-3,6-9,12-14,19H,4-5,10-11,15-16H2,1H3,(H,27,30)

InChI Key

XMHVETDFXNXPPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

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

4.372

Distribution Coefficient, logD

4.372

Water Solubility, LogSw

-4.25

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

32.00

References: we are preparing a list of scientific research reports with C880-0863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-0863?
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What is the minimum amount of C880-0863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-0863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-0863
  • 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 C880-0863 available by request