F980-0680 Screening compound: 2-methyl-4-{2-oxo-2-[4-(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

F980-0680 Screening compound: 2-methyl-4-{2-oxo-2-[4-(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
F980-0680 Screening compound: 2-methyl-4-{2-oxo-2-[4-(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F980-0680
2-methyl-4-{2-oxo-2-[4-(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-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

F980-0680

Molecular Formula

C25H25N5O4 (C25 H25 N5 O4)

Compound Name

2-methyl-4-{2-oxo-2-[4-(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

2-methyl-4-{2-oxo-2-[4-(6-oxo-1-phenyl-16-dihydropyridazin-3-yl)piperazin-1-yl]ethyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CC1Oc(cccc2)c2N(CC(N(CC2)CCN2C(C=C2)=NN(c3ccccc3)C2=O)=O)C1=O

InChI

InChI=1S/C25H25N5O4/c1-18-25(33)29(20-9-5-6-10-21(20)34-18)17-24(32)28-15-13-27(14-16-28)22-11-12-23(31)30(26-22)19-7-3-2-4-8-19/h2-12,18H,13-17H2,1H3/t18-/m1/s1

InChI Key

OQZZIPUWYYABST-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14973769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.616

Distribution Coefficient, logD

1.616

Water Solubility, LogSw

-2.14

Polar Surface Area

69.739

Acid Dissociation Constant (pKa)

18.14

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

F980-0680 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F980-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F980-0680?
Check Price and Availability of F980-0680, 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 F980-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F980-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F980-0680
  • 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 F980-0680 available by request