8015-6886 Screening compound: 9-benzyl-7-(trifluoromethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4-diol

8015-6886 Screening compound: 9-benzyl-7-(trifluoromethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4-diol
8015-6886 Screening compound: 9-benzyl-7-(trifluoromethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6886
9-benzyl-7-(trifluoromethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4-diol

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

8015-6886

Molecular Formula

C17H10F3N3O2S (C17 H10 F3 N3 O2 S)

Compound Name

9-benzyl-7-(trifluoromethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4-diol

IUPAC name

13-benzyl-11-(trifluoromethyl)-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaene-46-diol

SMILES

Oc1c2sc3nc(C(F)(F)F)cc(Cc4ccccc4)c3c2nc(O)n1

InChI

InChI=1S/C17H10F3N3O2S/c18-17(19,20)10-7-9(6-8-4-2-1-3-5-8)11-12-13(26-15(11)21-10)14(24)23-16(25)22-12/h1-5,7H,6H2,(H2,22,23,24,25)

InChI Key

VCMGBFQVEWTQPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05257687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.097

Distribution Coefficient, logD

3.647

Water Solubility, LogSw

-4.64

Polar Surface Area

62.605

Acid Dissociation Constant (pKa)

7.14

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8015-6886 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Others
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-6886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6886?
Check Price and Availability of 8015-6886, 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 8015-6886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6886
  • 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 8015-6886 available by request