K668-0061 Screening compound: 3-(2-fluorobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

K668-0061 Screening compound: 3-(2-fluorobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
K668-0061 Screening compound: 3-(2-fluorobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K668-0061
3-(2-fluorobenzyl)-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

K668-0061

Molecular Formula

C17H15FN2OS (C17 H15 FN2 OS)

Compound Name

3-(2-fluorobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

4-[(2-fluorophenyl)methyl]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

O=C1N(Cc(cccc2)c2F)C=Nc2c1c(CCCC1)c1s2

InChI

InChI=1S/C17H15FN2OS/c18-13-7-3-1-5-11(13)9-20-10-19-16-15(17(20)21)12-6-2-4-8-14(12)22-16/h1,3,5,7,10H,2,4,6,8-9H2

InChI Key

OSWRZKHMGKPAGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.804

Distribution Coefficient, logD

3.804

Water Solubility, LogSw

-4.23

Polar Surface Area

26.162

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

References: we are preparing a list of scientific research reports with K668-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K668-0061?
Check Price and Availability of K668-0061, 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 K668-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K668-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K668-0061
  • 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 K668-0061 available by request