C891-2273 Screening compound: 2-{6-[(3-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-cyclopentylacetamide

C891-2273 Screening compound: 2-{6-[(3-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-cyclopentylacetamide
C891-2273 Screening compound: 2-{6-[(3-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-2273
2-{6-[(3-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-cyclopentylacetamide

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

C891-2273

Molecular Formula

C22H25ClN4O2 (C22 H25 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C=NN(CC(NC2CCCC2)=O)C2=O)c2c(C)n1Cc1cccc(Cl)c1

InChI

InChI=1S/C22H25ClN4O2/c1-14-19-11-24-27(13-20(28)25-18-8-3-4-9-18)22(29)21(19)15(2)26(14)12-16-6-5-7-17(23)10-16/h5-7,10-11,18H,3-4,8-9,12-13H2,1-2H3,(H,25,28)

InChI Key

LWZFZOOHELTOLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.92

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

3.202

Distribution Coefficient, logD

3.202

Water Solubility, LogSw

-4.03

Polar Surface Area

54.490

Acid Dissociation Constant (pKa)

16.76

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with C891-2273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C891-2273?
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What is the minimum amount of C891-2273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-2273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-2273
  • 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 C891-2273 available by request