F425-0044 Screening compound: 2-({[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

F425-0044 Screening compound: 2-({[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
F425-0044 Screening compound: 2-({[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F425-0044
2-({[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-phenyl-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

F425-0044

Molecular Formula

C21H13BrN4O2S2 (C21 H13 BrN4 O2 S2)

Compound Name

2-({[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

2-({[3-(4-bromophenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-3-phenyl-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

O=C1N(c2ccccc2)C(SCc2nc(-c(cc3)ccc3Br)no2)=Nc2c1scc2

InChI

InChI=1S/C21H13BrN4O2S2/c22-14-8-6-13(7-9-14)19-24-17(28-25-19)12-30-21-23-16-10-11-29-18(16)20(27)26(21)15-4-2-1-3-5-15/h1-11H,12H2

InChI Key

XUUTULPEZDUIQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11996364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.772

Distribution Coefficient, logD

5.772

Water Solubility, LogSw

-5.98

Polar Surface Area

57.521

Acid Dissociation Constant (pKa)

36.53

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

F425-0044 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with F425-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F425-0044?
Check Price and Availability of F425-0044, 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 F425-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F425-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F425-0044
  • 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 F425-0044 available by request