F796-0092 Screening compound: 3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one

F796-0092 Screening compound: 3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one
F796-0092 Screening compound: 3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F796-0092
3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-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

F796-0092

Molecular Formula

C24H23N5O4 (C24 H23 N5 O4)

Compound Name

3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

3-(2-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

O=C(CN(C=Nc1c2[nH]c3c1cccc3)C2=O)N1CCN(Cc(cc2)cc3c2OCO3)CC1

InChI

InChI=1S/C24H23N5O4/c30-21(13-29-14-25-22-17-3-1-2-4-18(17)26-23(22)24(29)31)28-9-7-27(8-10-28)12-16-5-6-19-20(11-16)33-15-32-19/h1-6,11,14,26H,7-10,12-13,15H2

InChI Key

RLFUGXWPLCTADK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.255

Distribution Coefficient, logD

1.064

Water Solubility, LogSw

-2.45

Polar Surface Area

71.346

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

F796-0092 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F796-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F796-0092?
Check Price and Availability of F796-0092, 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 F796-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F796-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F796-0092
  • 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 F796-0092 available by request