C200-3193 Screening compound: 3-(2-fluorobenzyl)-2-(2-oxo-2H-chromen-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

C200-3193 Screening compound: 3-(2-fluorobenzyl)-2-(2-oxo-2H-chromen-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
C200-3193 Screening compound: 3-(2-fluorobenzyl)-2-(2-oxo-2H-chromen-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3193
3-(2-fluorobenzyl)-2-(2-oxo-2H-chromen-3-yl)-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

C200-3193

Molecular Formula

C26H19FN2O3S (C26 H19 FN2 O3 S)

Compound Name

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

IUPAC name

4-[(2-fluorophenyl)methyl]-5-(2-oxo-2H-chromen-3-yl)-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(C2=Cc(cccc3)c3OC2=O)=Nc2c1c(CCCC1)c1s2

InChI

InChI=1S/C26H19FN2O3S/c27-19-10-4-1-8-16(19)14-29-23(18-13-15-7-2-5-11-20(15)32-26(18)31)28-24-22(25(29)30)17-9-3-6-12-21(17)33-24/h1-2,4-5,7-8,10-11,13H,3,6,9,12,14H2

InChI Key

IVPZBRRGWWLBBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.360

Distribution Coefficient, logD

5.360

Water Solubility, LogSw

-5.69

Polar Surface Area

46.094

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

-5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C200-3193 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-3193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3193?
Check Price and Availability of C200-3193, 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 C200-3193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3193
  • 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 C200-3193 available by request