F394-0211 Screening compound: 2-{3-benzyl-8-fluoro-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-cyclohexylacetamide

F394-0211 Screening compound: 2-{3-benzyl-8-fluoro-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-cyclohexylacetamide
F394-0211 Screening compound: 2-{3-benzyl-8-fluoro-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F394-0211
2-{3-benzyl-8-fluoro-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-cyclohexylacetamide

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

F394-0211

Molecular Formula

C25H25FN4O2 (C25 H25 FN4 O2)

Compound Name

2-{3-benzyl-8-fluoro-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-cyclohexylacetamide

IUPAC name

2-{3-benzyl-8-fluoro-4-oxo-3H4H5H-pyrimido[54-b]indol-5-yl}-N-cyclohexylacetamide

SMILES

O=C(Cn(c(cc1)c2cc1F)c1c2N=CN(Cc2ccccc2)C1=O)NC1CCCCC1

InChI

InChI=1S/C25H25FN4O2/c26-18-11-12-21-20(13-18)23-24(30(21)15-22(31)28-19-9-5-2-6-10-19)25(32)29(16-27-23)14-17-7-3-1-4-8-17/h1,3-4,7-8,11-13,16,19H,2,5-6,9-10,14-15H2,(H,28,31)

InChI Key

NCDIQHIKHDFIJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27122392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.936

Distribution Coefficient, logD

3.936

Water Solubility, LogSw

-4.02

Polar Surface Area

49.125

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with F394-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F394-0211?
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What is the minimum amount of F394-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F394-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F394-0211
  • 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 F394-0211 available by request