C880-2798 Screening compound: 2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-(2,3-dimethylcyclohexyl)acetamide

C880-2798 Screening compound: 2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-(2,3-dimethylcyclohexyl)acetamide
C880-2798 Screening compound: 2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-(2,3-dimethylcyclohexyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-2798
2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-(2,3-dimethylcyclohexyl)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

C880-2798

Molecular Formula

C27H29ClN4O2 (C27 H29 ClN4 O2)

Compound Name

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

IUPAC name

2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}-N-(23-dimethylcyclohexyl)acetamide

SMILES

CC(CCC1)C(C)C1NC(CN(C1=O)N=Cc2c1n(Cc1cccc(Cl)c1)c1c2cccc1)=O

InChI

InChI=1S/C27H29ClN4O2/c1-17-7-5-11-23(18(17)2)30-25(33)16-32-27(34)26-22(14-29-32)21-10-3-4-12-24(21)31(26)15-19-8-6-9-20(28)13-19/h3-4,6,8-10,12-14,17-18,23H,5,7,11,15-16H2,1-2H3,(H,30,33)

InChI Key

KEKQLHYKNNTCOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.01

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

4.868

Distribution Coefficient, logD

4.868

Water Solubility, LogSw

-4.89

Polar Surface Area

53.658

Acid Dissociation Constant (pKa)

15.81

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

37.00

C880-2798 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C880-2798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-2798?
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What is the minimum amount of C880-2798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-2798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-2798
  • 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 C880-2798 available by request