4408-0035 Screening compound: 3-allyl-6-ethyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one

4408-0035 Screening compound: 3-allyl-6-ethyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one
4408-0035 Screening compound: 3-allyl-6-ethyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4408-0035
3-allyl-6-ethyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-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

4408-0035

Molecular Formula

C19H17FN2O2S2 (C19 H17 FN2 O2 S2)

Compound Name

3-allyl-6-ethyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

6-ethyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

CCc1cc(C(N(CC=C)C(SCC(c(cc2)ccc2F)=O)=N2)=O)c2s1

InChI

InChI=1S/C19H17FN2O2S2/c1-3-9-22-18(24)15-10-14(4-2)26-17(15)21-19(22)25-11-16(23)12-5-7-13(20)8-6-12/h3,5-8,10H,1,4,9,11H2,2H3

InChI Key

QLVHBFCMSCXAME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03139983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.291

Distribution Coefficient, logD

4.291

Water Solubility, LogSw

-4.32

Polar Surface Area

39.170

Acid Dissociation Constant (pKa)

26.82

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

4408-0035 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 4408-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4408-0035?
Check Price and Availability of 4408-0035, 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 4408-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4408-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4408-0035
  • 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 4408-0035 available by request