C891-1441 Screening compound: 2-[6-(4-chlorobenzyl)-5,7-dimethyl-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl]-N-isopropylacetamide

C891-1441 Screening compound: 2-[6-(4-chlorobenzyl)-5,7-dimethyl-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl]-N-isopropylacetamide
C891-1441 Screening compound: 2-[6-(4-chlorobenzyl)-5,7-dimethyl-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl]-N-isopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-1441
2-[6-(4-chlorobenzyl)-5,7-dimethyl-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl]-N-isopropylacetamide

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

C891-1441

Molecular Formula

C20H23ClN4O2 (C20 H23 ClN4 O2)

Compound Name

2-[6-(4-chlorobenzyl)-5,7-dimethyl-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl]-N-isopropylacetamide

IUPAC name

2-{6-[(4-chlorophenyl)methyl]-57-dimethyl-1-oxo-1H2H6H-pyrrolo[34-d]pyridazin-2-yl}-N-(propan-2-yl)acetamide

SMILES

CC(C)NC(CN1N=Cc2c(C)n(Cc(cc3)ccc3Cl)c(C)c2C1=O)=O

InChI

InChI=1S/C20H23ClN4O2/c1-12(2)23-18(26)11-25-20(27)19-14(4)24(13(3)17(19)9-22-25)10-15-5-7-16(21)8-6-15/h5-9,12H,10-11H2,1-4H3,(H,23,26)

InChI Key

IZOVOTILTMRZGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.88

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

2.460

Distribution Coefficient, logD

2.460

Water Solubility, LogSw

-3.56

Polar Surface Area

53.645

Acid Dissociation Constant (pKa)

15.96

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with C891-1441 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C891-1441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-1441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-1441
  • 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 C891-1441 available by request