F249-0394 Screening compound: 2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide

F249-0394 Screening compound: 2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
F249-0394 Screening compound: 2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F249-0394
2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide

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

F249-0394

Molecular Formula

C26H30N6O2 (C26 H30 N6 O2)

Compound Name

2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide

IUPAC name

2-{3-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl}-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide

SMILES

CN(C1=O)N=Cc2c1n(CC(NCCCN(CC1)CCN1c1ccccc1)=O)c1c2cccc1

InChI

InChI=1S/C26H30N6O2/c1-29-26(34)25-22(18-28-29)21-10-5-6-11-23(21)32(25)19-24(33)27-12-7-13-30-14-16-31(17-15-30)20-8-3-2-4-9-20/h2-6,8-11,18H,7,12-17,19H2,1H3,(H,27,33)

InChI Key

NJECSBGLNTVBOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27109515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.042

Distribution Coefficient, logD

1.456

Water Solubility, LogSw

-2.58

Polar Surface Area

60.578

Acid Dissociation Constant (pKa)

15.46

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

F249-0394 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F249-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F249-0394?
Check Price and Availability of F249-0394, 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 F249-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F249-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F249-0394
  • 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 F249-0394 available by request