F394-0481 Screening compound: 3-[(4-methoxyphenyl)methyl]-8-methyl-5-[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one

F394-0481 Screening compound: 3-[(4-methoxyphenyl)methyl]-8-methyl-5-[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one
F394-0481 Screening compound: 3-[(4-methoxyphenyl)methyl]-8-methyl-5-[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F394-0481
3-[(4-methoxyphenyl)methyl]-8-methyl-5-[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-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

F394-0481

Molecular Formula

C30H28N4O4 (C30 H28 N4 O4)

Compound Name

3-[(4-methoxyphenyl)methyl]-8-methyl-5-[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

3-[(4-methoxyphenyl)methyl]-8-methyl-5-[2-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-2-oxoethyl]-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

Cc(cc1)cc2c1n(CC(N1c(cc(C)cc3)c3OCC1)=O)c1c2N=CN(Cc(cc2)ccc2OC)C1=O

InChI

InChI=1S/C30H28N4O4/c1-19-4-10-24-23(14-19)28-29(30(36)32(18-31-28)16-21-6-8-22(37-3)9-7-21)34(24)17-27(35)33-12-13-38-26-11-5-20(2)15-25(26)33/h4-11,14-15,18H,12-13,16-17H2,1-3H3

InChI Key

HHLKYZZHNCXAFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27122593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.396

Distribution Coefficient, logD

4.396

Water Solubility, LogSw

-4.44

Polar Surface Area

55.480

Acid Dissociation Constant (pKa)

19.98

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

F394-0481 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F394-0481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F394-0481?
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What is the minimum amount of F394-0481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F394-0481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F394-0481
  • 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 F394-0481 available by request