C688-1064 Screening compound: 1-(3-fluorobenzyl)-3-phenethyl[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

C688-1064 Screening compound: 1-(3-fluorobenzyl)-3-phenethyl[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
C688-1064 Screening compound: 1-(3-fluorobenzyl)-3-phenethyl[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-1064
1-(3-fluorobenzyl)-3-phenethyl[1]benzothieno[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

C688-1064

Molecular Formula

C25H19FN2O2S (C25 H19 FN2 O2 S)

Compound Name

1-(3-fluorobenzyl)-3-phenethyl[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

3-[(3-fluorophenyl)methyl]-5-(2-phenylethyl)-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraene-46-dione

SMILES

O=C(c(sc1c2cccc1)c2N1Cc2cc(F)ccc2)N(CCc2ccccc2)C1=O

InChI

InChI=1S/C25H19FN2O2S/c26-19-10-6-9-18(15-19)16-28-22-20-11-4-5-12-21(20)31-23(22)24(29)27(25(28)30)14-13-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2

InChI Key

HBVLUBWQQIAIML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.075

Distribution Coefficient, logD

6.075

Water Solubility, LogSw

-6.22

Polar Surface Area

33.149

Acid Dissociation Constant (pKa)

26.36

Base Dissociation Constant (pKb)

-5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C688-1064 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C688-1064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1064?
Check Price and Availability of C688-1064, 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 C688-1064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1064
  • 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 C688-1064 available by request