F400-0231 Screening compound: 3-[(2-chlorophenyl)methyl]-5-[(2-methylphenyl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one

F400-0231 Screening compound: 3-[(2-chlorophenyl)methyl]-5-[(2-methylphenyl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one
F400-0231 Screening compound: 3-[(2-chlorophenyl)methyl]-5-[(2-methylphenyl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F400-0231
3-[(2-chlorophenyl)methyl]-5-[(2-methylphenyl)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

F400-0231

Molecular Formula

C25H20ClN3O (C25 H20 ClN3 O)

Compound Name

3-[(2-chlorophenyl)methyl]-5-[(2-methylphenyl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

3-[(2-chlorophenyl)methyl]-5-[(2-methylphenyl)methyl]-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

Cc1c(Cn(c2c3cccc2)c2c3N=CN(Cc(cccc3)c3Cl)C2=O)cccc1

InChI

InChI=1S/C25H20ClN3O/c1-17-8-2-3-9-18(17)15-29-22-13-7-5-11-20(22)23-24(29)25(30)28(16-27-23)14-19-10-4-6-12-21(19)26/h2-13,16H,14-15H2,1H3

InChI Key

DPINAVMJGSNCGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.91

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

5.945

Distribution Coefficient, logD

5.945

Water Solubility, LogSw

-5.95

Polar Surface Area

24.928

Acid Dissociation Constant (pKa)

25.36

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

F400-0231 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 F400-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F400-0231?
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What is the minimum amount of F400-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F400-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F400-0231
  • 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 F400-0231 available by request