C688-0984 Screening compound: 1-(4-fluorobenzyl)-3-(3-methoxyphenyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

C688-0984 Screening compound: 1-(4-fluorobenzyl)-3-(3-methoxyphenyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
C688-0984 Screening compound: 1-(4-fluorobenzyl)-3-(3-methoxyphenyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-0984
1-(4-fluorobenzyl)-3-(3-methoxyphenyl)[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

C688-0984

Molecular Formula

C24H17FN2O3S (C24 H17 FN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(N(C(c(sc2c3cccc2)c3N2Cc(cc3)ccc3F)=O)C2=O)c1

InChI

InChI=1S/C24H17FN2O3S/c1-30-18-6-4-5-17(13-18)27-23(28)22-21(19-7-2-3-8-20(19)31-22)26(24(27)29)14-15-9-11-16(25)12-10-15/h2-13H,14H2,1H3

InChI Key

QPBIHNRKUXCTAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.48

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

5.289

Distribution Coefficient, logD

5.289

Water Solubility, LogSw

-5.57

Polar Surface Area

40.103

Acid Dissociation Constant (pKa)

27.41

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

C688-0984 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C688-0984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-0984?
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What is the minimum amount of C688-0984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-0984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-0984
  • 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 C688-0984 available by request