C688-1484 Screening compound: 3-(4-fluorobenzyl)-1-[3-(trifluoromethyl)benzyl][1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

C688-1484 Screening compound: 3-(4-fluorobenzyl)-1-[3-(trifluoromethyl)benzyl][1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
C688-1484 Screening compound: 3-(4-fluorobenzyl)-1-[3-(trifluoromethyl)benzyl][1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-1484
3-(4-fluorobenzyl)-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

C688-1484

Molecular Formula

C25H16F4N2O2S (C25 H16 F4 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(sc1c2cccc1)c2N1Cc2cc(C(F)(F)F)ccc2)N(Cc(cc2)ccc2F)C1=O

InChI

InChI=1S/C25H16F4N2O2S/c26-18-10-8-15(9-11-18)13-31-23(32)22-21(19-6-1-2-7-20(19)34-22)30(24(31)33)14-16-4-3-5-17(12-16)25(27,28)29/h1-12H,13-14H2

InChI Key

NJSIDFXCSFPPPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783234

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

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.585

Distribution Coefficient, logD

6.585

Water Solubility, LogSw

-6.50

Polar Surface Area

33.171

Acid Dissociation Constant (pKa)

27.75

Base Dissociation Constant (pKb)

-7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C688-1484 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C688-1484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1484?
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What is the minimum amount of C688-1484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1484
  • 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 C688-1484 available by request