C688-1525 Screening compound: 3-(3-fluoro-4-methylphenyl)-1-[3-(trifluoromethyl)benzyl][1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

C688-1525 Screening compound: 3-(3-fluoro-4-methylphenyl)-1-[3-(trifluoromethyl)benzyl][1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
C688-1525 Screening compound: 3-(3-fluoro-4-methylphenyl)-1-[3-(trifluoromethyl)benzyl][1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-1525
3-(3-fluoro-4-methylphenyl)-1-[3-(trifluoromethyl)benzyl][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

C688-1525

Molecular Formula

C25H16F4N2O2S (C25 H16 F4 N2 O2 S)

Compound Name

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

IUPAC name

5-(3-fluoro-4-methylphenyl)-3-{[3-(trifluoromethyl)phenyl]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(C(F)(F)F)ccc2)=O)C1=O)c1)c1F

InChI

InChI=1S/C25H16F4N2O2S/c1-14-9-10-17(12-19(14)26)31-23(32)22-21(18-7-2-3-8-20(18)34-22)30(24(31)33)13-15-5-4-6-16(11-15)25(27,28)29/h2-12H,13H2,1H3

InChI Key

IEKQHXMMCGEPHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.514

Distribution Coefficient, logD

6.514

Water Solubility, LogSw

-5.99

Polar Surface Area

32.559

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C688-1525 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C688-1525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1525?
Check Price and Availability of C688-1525, 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 C688-1525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1525
  • 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 C688-1525 available by request