C891-0219 Screening compound: 2-{6-benzyl-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide

C891-0219 Screening compound: 2-{6-benzyl-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
C891-0219 Screening compound: 2-{6-benzyl-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-0219
2-{6-benzyl-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]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

C891-0219

Molecular Formula

C27H37N5O2 (C27 H37 N5 O2)

Compound Name

2-{6-benzyl-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide

IUPAC name

2-{6-benzyl-57-dimethyl-1-oxo-1H2H6H-pyrrolo[34-d]pyridazin-2-yl}-N-[3-(35-dimethylpiperidin-1-yl)propyl]acetamide

SMILES

CC1CN(CCCNC(CN2N=Cc3c(C)n(Cc4ccccc4)c(C)c3C2=O)=O)CC(C)C1

InChI

InChI=1S/C27H37N5O2/c1-19-13-20(2)16-30(15-19)12-8-11-28-25(33)18-32-27(34)26-22(4)31(21(3)24(26)14-29-32)17-23-9-6-5-7-10-23/h5-7,9-10,14,19-20H,8,11-13,15-18H2,1-4H3,(H,28,33)

InChI Key

WEZLGZXXNVMUTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.763

Distribution Coefficient, logD

0.159

Water Solubility, LogSw

-3.03

Polar Surface Area

58.090

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

51.90

C891-0219 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C891-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C891-0219?
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What is the minimum amount of C891-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-0219
  • 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 C891-0219 available by request