F847-0385 Screening compound: 3-ethyl-2-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-7-(4-methylphenyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one

F847-0385 Screening compound: 3-ethyl-2-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-7-(4-methylphenyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
F847-0385 Screening compound: 3-ethyl-2-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-7-(4-methylphenyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F847-0385
3-ethyl-2-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-7-(4-methylphenyl)-3H,4H-thieno[3,2-d]pyrimidin-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

F847-0385

Molecular Formula

C26H25N3O3S2 (C26 H25 N3 O3 S2)

Compound Name

3-ethyl-2-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-7-(4-methylphenyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

3-ethyl-2-{[2-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-7-(4-methylphenyl)-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

CCN(C1=O)C(SCC(N2c(cc(C)cc3)c3OCC2)=O)=Nc2c1scc2-c1ccc(C)cc1

InChI

InChI=1S/C26H25N3O3S2/c1-4-28-25(31)24-23(19(14-33-24)18-8-5-16(2)6-9-18)27-26(28)34-15-22(30)29-11-12-32-21-10-7-17(3)13-20(21)29/h5-10,13-14H,4,11-12,15H2,1-3H3

InChI Key

ZRGNCAMMNWJTFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11997479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.527

Distribution Coefficient, logD

5.527

Water Solubility, LogSw

-5.30

Polar Surface Area

47.270

Acid Dissociation Constant (pKa)

27.60

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

F847-0385 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 F847-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F847-0385?
Check Price and Availability of F847-0385, 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 F847-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F847-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F847-0385
  • 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 F847-0385 available by request