F394-0322 Screening compound: N-(5-chloro-2-methylphenyl)-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamide

F394-0322 Screening compound: N-(5-chloro-2-methylphenyl)-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamide
F394-0322 Screening compound: N-(5-chloro-2-methylphenyl)-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F394-0322
N-(5-chloro-2-methylphenyl)-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamide

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

F394-0322

Molecular Formula

C27H22ClFN4O3 (C27 H22 ClFN4 O3)

Compound Name

N-(5-chloro-2-methylphenyl)-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamide

IUPAC name

N-(5-chloro-2-methylphenyl)-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3H4H5H-pyrimido[54-b]indol-5-yl}acetamide

SMILES

Cc(ccc(Cl)c1)c1NC(Cn(c(cc1)c2cc1F)c1c2N=CN(Cc(cc2)ccc2OC)C1=O)=O

InChI

InChI=1S/C27H22ClFN4O3/c1-16-3-6-18(28)11-22(16)31-24(34)14-33-23-10-7-19(29)12-21(23)25-26(33)27(35)32(15-30-25)13-17-4-8-20(36-2)9-5-17/h3-12,15H,13-14H2,1-2H3,(H,31,34)

InChI Key

ZHBQSMQVEDYIGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27122469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.577

Distribution Coefficient, logD

4.576

Water Solubility, LogSw

-4.62

Polar Surface Area

54.924

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

F394-0322 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F394-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F394-0322?
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What is the minimum amount of F394-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F394-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F394-0322
  • 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 F394-0322 available by request