C891-1812 Screening compound: 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one

C891-1812 Screening compound: 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one
C891-1812 Screening compound: 2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-1812
2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-[(2-fluorophenyl)methyl]-5,7-dimethyl-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

C891-1812

Molecular Formula

C23H28FN5O2 (C23 H28 FN5 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H28FN5O2/c1-4-26-9-11-27(12-10-26)21(30)15-29-23(31)22-17(3)28(16(2)19(22)13-25-29)14-18-7-5-6-8-20(18)24/h5-8,13H,4,9-12,14-15H2,1-3H3

InChI Key

FBHFQLVKYABJDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.593

Distribution Coefficient, logD

1.417

Water Solubility, LogSw

-2.10

Polar Surface Area

49.857

Acid Dissociation Constant (pKa)

18.24

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with C891-1812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C891-1812?
Check Price and Availability of C891-1812, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C891-1812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-1812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-1812
  • 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 C891-1812 available by request