8009-6523 Screening compound: 7-(tert-butyl)-3-phenyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

8009-6523 Screening compound: 7-(tert-butyl)-3-phenyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
8009-6523 Screening compound: 7-(tert-butyl)-3-phenyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6523
7-(tert-butyl)-3-phenyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[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

8009-6523

Molecular Formula

C28H27F3N2OS2 (C28 H27 F3 N2 OS2)

Compound Name

7-(tert-butyl)-3-phenyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

11-tert-butyl-4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N(c1ccccc1)C(SCc1cc(C(F)(F)F)ccc1)=N1)=O)c1s2

InChI

InChI=1S/C28H27F3N2OS2/c1-27(2,3)18-12-13-21-22(15-18)36-24-23(21)25(34)33(20-10-5-4-6-11-20)26(32-24)35-16-17-8-7-9-19(14-17)28(29,30)31/h4-11,14,18H,12-13,15-16H2,1-3H3/t18-/m1/s1

InChI Key

WLSVYZPPIRAJLC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01819509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.817

Distribution Coefficient, logD

7.817

Water Solubility, LogSw

-5.82

Polar Surface Area

24.982

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

8009-6523 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8009-6523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6523?
Check Price and Availability of 8009-6523, 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 8009-6523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6523
  • 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 8009-6523 available by request