F249-0204 Screening compound: N-{1-[benzyl(methyl)amino]butan-2-yl}-4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

F249-0204 Screening compound: N-{1-[benzyl(methyl)amino]butan-2-yl}-4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide
F249-0204 Screening compound: N-{1-[benzyl(methyl)amino]butan-2-yl}-4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F249-0204
N-{1-[benzyl(methyl)amino]butan-2-yl}-4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

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

F249-0204

Molecular Formula

C27H33N5O2 (C27 H33 N5 O2)

Compound Name

N-{1-[benzyl(methyl)amino]butan-2-yl}-4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

IUPAC name

N-{1-[benzyl(methyl)amino]butan-2-yl}-4-{3-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl}butanamide

SMILES

CCC(CN(C)Cc1ccccc1)NC(CCCn1c(C(N(C)N=C2)=O)c2c2c1cccc2)=O

InChI

InChI=1S/C27H33N5O2/c1-4-21(19-30(2)18-20-11-6-5-7-12-20)29-25(33)15-10-16-32-24-14-9-8-13-22(24)23-17-28-31(3)27(34)26(23)32/h5-9,11-14,17,21H,4,10,15-16,18-19H2,1-3H3,(H,29,33)/t21-/m0/s1

InChI Key

RVXIOINWRYLWNL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27642692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.038

Distribution Coefficient, logD

2.405

Water Solubility, LogSw

-3.19

Polar Surface Area

57.496

Acid Dissociation Constant (pKa)

13.47

Base Dissociation Constant (pKb)

7.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

F249-0204 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F249-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F249-0204?
Check Price and Availability of F249-0204, 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 F249-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F249-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F249-0204
  • 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 F249-0204 available by request