C891-2179 Screening compound: 2-{6-[(2-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[3-(pyrrolidin-1-yl)propyl]acetamide

C891-2179 Screening compound: 2-{6-[(2-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[3-(pyrrolidin-1-yl)propyl]acetamide
C891-2179 Screening compound: 2-{6-[(2-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[3-(pyrrolidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-2179
2-{6-[(2-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[3-(pyrrolidin-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

C891-2179

Molecular Formula

C24H30ClN5O2 (C24 H30 ClN5 O2)

Compound Name

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

IUPAC name

2-{6-[(2-chlorophenyl)methyl]-57-dimethyl-1-oxo-1H2H6H-pyrrolo[34-d]pyridazin-2-yl}-N-[3-(pyrrolidin-1-yl)propyl]acetamide

SMILES

Cc1c(C=NN(CC(NCCCN2CCCC2)=O)C2=O)c2c(C)n1Cc(cccc1)c1Cl

InChI

InChI=1S/C24H30ClN5O2/c1-17-20-14-27-30(16-22(31)26-10-7-13-28-11-5-6-12-28)24(32)23(20)18(2)29(17)15-19-8-3-4-9-21(19)25/h3-4,8-9,14H,5-7,10-13,15-16H2,1-2H3,(H,26,31)

InChI Key

DQPYFYBBOOKCCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.99

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

2.181

Distribution Coefficient, logD

-0.909

Water Solubility, LogSw

-3.20

Polar Surface Area

58.589

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

10.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

References: we are preparing a list of scientific research reports with C891-2179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C891-2179?
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What is the minimum amount of C891-2179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-2179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-2179
  • 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 C891-2179 available by request