C200-4082 Screening compound: 3-(3-fluoro-4-methylphenyl)-1-(3-methoxybenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

C200-4082 Screening compound: 3-(3-fluoro-4-methylphenyl)-1-(3-methoxybenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
C200-4082 Screening compound: 3-(3-fluoro-4-methylphenyl)-1-(3-methoxybenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4082
3-(3-fluoro-4-methylphenyl)-1-(3-methoxybenzyl)[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

C200-4082

Molecular Formula

C25H19FN2O3S (C25 H19 FN2 O3 S)

Compound Name

3-(3-fluoro-4-methylphenyl)-1-(3-methoxybenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

5-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methyl]-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraene-46-dione

SMILES

Cc(ccc(N(C(c(sc1c2cccc1)c2N1Cc2cc(OC)ccc2)=O)C1=O)c1)c1F

InChI

InChI=1S/C25H19FN2O3S/c1-15-10-11-17(13-20(15)26)28-24(29)23-22(19-8-3-4-9-21(19)32-23)27(25(28)30)14-16-6-5-7-18(12-16)31-2/h3-13H,14H2,1-2H3

InChI Key

XHMMFHHRXHSYIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.813

Distribution Coefficient, logD

5.813

Water Solubility, LogSw

-5.74

Polar Surface Area

40.103

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C200-4082 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Human Proteases Annotated Library (2868 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
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C200-4082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4082?
Check Price and Availability of C200-4082, 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 C200-4082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4082
  • 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 C200-4082 available by request