C891-1787 Screening compound: 6-[(2-fluorophenyl)methyl]-5,7-dimethyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one

C891-1787 Screening compound: 6-[(2-fluorophenyl)methyl]-5,7-dimethyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one
C891-1787 Screening compound: 6-[(2-fluorophenyl)methyl]-5,7-dimethyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-1787
6-[(2-fluorophenyl)methyl]-5,7-dimethyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one

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

C891-1787

Molecular Formula

C23H27FN4O2 (C23 H27 FN4 O2)

Compound Name

6-[(2-fluorophenyl)methyl]-5,7-dimethyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one

IUPAC name

6-[(2-fluorophenyl)methyl]-57-dimethyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H2H6H-pyrrolo[34-d]pyridazin-1-one

SMILES

CC(CC1)CCN1C(CN1N=Cc2c(C)n(Cc(cccc3)c3F)c(C)c2C1=O)=O

InChI

InChI=1S/C23H27FN4O2/c1-15-8-10-26(11-9-15)21(29)14-28-23(30)22-17(3)27(16(2)19(22)12-25-28)13-18-6-4-5-7-20(18)24/h4-7,12,15H,8-11,13-14H2,1-3H3

InChI Key

LTHWBMMGQNFKNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.761

Distribution Coefficient, logD

2.761

Water Solubility, LogSw

-2.88

Polar Surface Area

46.320

Acid Dissociation Constant (pKa)

18.24

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

C891-1787 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C891-1787 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C891-1787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-1787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-1787
  • 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 C891-1787 available by request