C688-1168 Screening compound: 3-(4-ethylphenyl)-1-(2-fluorobenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

C688-1168 Screening compound: 3-(4-ethylphenyl)-1-(2-fluorobenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
C688-1168 Screening compound: 3-(4-ethylphenyl)-1-(2-fluorobenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-1168
3-(4-ethylphenyl)-1-(2-fluorobenzyl)[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

C688-1168

Molecular Formula

C25H19FN2O2S (C25 H19 FN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1N(C(c(sc1c2cccc1)c2N1Cc(cccc2)c2F)=O)C1=O

InChI

InChI=1S/C25H19FN2O2S/c1-2-16-11-13-18(14-12-16)28-24(29)23-22(19-8-4-6-10-21(19)31-23)27(25(28)30)15-17-7-3-5-9-20(17)26/h3-14H,2,15H2,1H3

InChI Key

XTVQQIRGFDIWTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08568933

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

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.167

Distribution Coefficient, logD

6.167

Water Solubility, LogSw

-5.73

Polar Surface Area

32.559

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with C688-1168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1168?
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What is the minimum amount of C688-1168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1168
  • 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 C688-1168 available by request