C688-1218 Screening compound: 3-(2-chlorophenyl)-1-(3-fluorobenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

C688-1218 Screening compound: 3-(2-chlorophenyl)-1-(3-fluorobenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
C688-1218 Screening compound: 3-(2-chlorophenyl)-1-(3-fluorobenzyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-1218
3-(2-chlorophenyl)-1-(3-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

C688-1218

Molecular Formula

C23H14ClFN2O2S (C23 H14 ClFN2 O2 S)

Compound Name

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

IUPAC name

5-(2-chlorophenyl)-3-[(3-fluorophenyl)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(F)ccc2)N(c(cccc2)c2Cl)C1=O

InChI

InChI=1S/C23H14ClFN2O2S/c24-17-9-2-3-10-18(17)27-22(28)21-20(16-8-1-4-11-19(16)30-21)26(23(27)29)13-14-6-5-7-15(25)12-14/h1-12H,13H2

InChI Key

CKUBACIALFXNTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.825

Distribution Coefficient, logD

5.825

Water Solubility, LogSw

-6.13

Polar Surface Area

32.258

Acid Dissociation Constant (pKa)

27.09

Base Dissociation Constant (pKb)

-5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with C688-1218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1218?
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What is the minimum amount of C688-1218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1218
  • 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 C688-1218 available by request