C200-7478 Screening compound: 4-(3,4-dimethoxyphenethyl)-2-[3-(trifluoromethyl)benzyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

C200-7478 Screening compound: 4-(3,4-dimethoxyphenethyl)-2-[3-(trifluoromethyl)benzyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
C200-7478 Screening compound: 4-(3,4-dimethoxyphenethyl)-2-[3-(trifluoromethyl)benzyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-7478
4-(3,4-dimethoxyphenethyl)-2-[3-(trifluoromethyl)benzyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-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

C200-7478

Molecular Formula

C25H21F3N4O4S (C25 H21 F3 N4 O4 S)

Compound Name

4-(3,4-dimethoxyphenethyl)-2-[3-(trifluoromethyl)benzyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

IUPAC name

8-[2-(34-dimethoxyphenyl)ethyl]-11-{[3-(trifluoromethyl)phenyl]methyl}-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-triene-712-dione

SMILES

COc(ccc(CCN(C(N1c2c3scc2)=NN(Cc2cc(C(F)(F)F)ccc2)C1=O)C3=O)c1)c1OC

InChI

InChI=1S/C25H21F3N4O4S/c1-35-19-7-6-15(13-20(19)36-2)8-10-30-22(33)21-18(9-11-37-21)32-23(30)29-31(24(32)34)14-16-4-3-5-17(12-16)25(26,27)28/h3-7,9,11-13H,8,10,14H2,1-2H3

InChI Key

XCCXHBVXFCRNQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.422

Distribution Coefficient, logD

4.422

Water Solubility, LogSw

-4.42

Polar Surface Area

64.193

Acid Dissociation Constant (pKa)

23.82

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C200-7478 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Immunological Library (6760 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C200-7478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-7478?
Check Price and Availability of C200-7478, 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 C200-7478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-7478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-7478
  • 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 C200-7478 available by request