F400-0331 Screening compound: 5-benzyl-8-fluoro-3-[(4-fluorophenyl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one

F400-0331 Screening compound: 5-benzyl-8-fluoro-3-[(4-fluorophenyl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one
F400-0331 Screening compound: 5-benzyl-8-fluoro-3-[(4-fluorophenyl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F400-0331
5-benzyl-8-fluoro-3-[(4-fluorophenyl)methyl]-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

F400-0331

Molecular Formula

C24H17F2N3O (C24 H17 F2 N3 O)

Compound Name

5-benzyl-8-fluoro-3-[(4-fluorophenyl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

5-benzyl-8-fluoro-3-[(4-fluorophenyl)methyl]-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

O=C1N(Cc(cc2)ccc2F)C=Nc2c1n(Cc1ccccc1)c(cc1)c2cc1F

InChI

InChI=1S/C24H17F2N3O/c25-18-8-6-17(7-9-18)13-28-15-27-22-20-12-19(26)10-11-21(20)29(23(22)24(28)30)14-16-4-2-1-3-5-16/h1-12,15H,13-14H2

InChI Key

ZQDMNSKQQXTIKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.579

Distribution Coefficient, logD

4.579

Water Solubility, LogSw

-4.58

Polar Surface Area

24.928

Acid Dissociation Constant (pKa)

25.73

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

F400-0331 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F400-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F400-0331?
Check Price and Availability of F400-0331, 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 F400-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F400-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F400-0331
  • 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 F400-0331 available by request