C908-0115 Screening compound: 6-(4-ethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

C908-0115 Screening compound: 6-(4-ethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
C908-0115 Screening compound: 6-(4-ethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C908-0115
6-(4-ethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

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

C908-0115

Molecular Formula

C21H15F3N2O3S (C21 H15 F3 N2 O3 S)

Compound Name

6-(4-ethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

IUPAC name

6-(4-ethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]-1H2H3H4H-thieno[32-d]pyrimidine-24-dione

SMILES

CCOc(cc1)ccc1-c1cc(NC(N(c2c(C(F)(F)F)cccc2)C2=O)=O)c2s1

InChI

InChI=1S/C21H15F3N2O3S/c1-2-29-13-9-7-12(8-10-13)17-11-15-18(30-17)19(27)26(20(28)25-15)16-6-4-3-5-14(16)21(22,23)24/h3-11H,2H2,1H3,(H,25,28)

InChI Key

DTXHRELJJBTCEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.375

Distribution Coefficient, logD

5.375

Water Solubility, LogSw

-5.38

Polar Surface Area

47.438

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-8.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C908-0115 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C908-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C908-0115?
Check Price and Availability of C908-0115, 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 C908-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C908-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C908-0115
  • 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 C908-0115 available by request