8020-1353 Screening compound: 7-(3-methoxyphenyl)-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

8020-1353 Screening compound: 7-(3-methoxyphenyl)-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
8020-1353 Screening compound: 7-(3-methoxyphenyl)-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1353
7-(3-methoxyphenyl)-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-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

8020-1353

Molecular Formula

C17H10F3N3O3S (C17 H10 F3 N3 O3 S)

Compound Name

7-(3-methoxyphenyl)-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

11-(3-methoxyphenyl)-13-(trifluoromethyl)-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)911-tetraene-46-dione

SMILES

COc1cccc(-c2cc(C(F)(F)F)c(c(NC(NC3=O)=O)c3s3)c3n2)c1

InChI

InChI=1S/C17H10F3N3O3S/c1-26-8-4-2-3-7(5-8)10-6-9(17(18,19)20)11-12-13(27-15(11)21-10)14(24)23-16(25)22-12/h2-6H,1H3,(H2,22,23,24,25)

InChI Key

BQRXDDDMAXWINQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12035152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.916

Distribution Coefficient, logD

1.963

Water Solubility, LogSw

-4.39

Polar Surface Area

63.862

Acid Dissociation Constant (pKa)

5.45

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8020-1353 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8020-1353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1353?
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What is the minimum amount of 8020-1353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1353
  • 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 8020-1353 available by request