C688-0864 Screening compound: 1-benzyl-3-(4-chlorophenyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

C688-0864 Screening compound: 1-benzyl-3-(4-chlorophenyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
C688-0864 Screening compound: 1-benzyl-3-(4-chlorophenyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-0864
1-benzyl-3-(4-chlorophenyl)[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

C688-0864

Molecular Formula

C23H15ClN2O2S (C23 H15 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(sc1c2cccc1)c2N1Cc2ccccc2)N(c(cc2)ccc2Cl)C1=O

InChI

InChI=1S/C23H15ClN2O2S/c24-16-10-12-17(13-11-16)26-22(27)21-20(18-8-4-5-9-19(18)29-21)25(23(26)28)14-15-6-2-1-3-7-15/h1-13H,14H2

InChI Key

AMOOBMBYMVQELM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08568956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.9

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

5.691

Distribution Coefficient, logD

5.691

Water Solubility, LogSw

-6.03

Polar Surface Area

32.559

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-4.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with C688-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-0864?
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What is the minimum amount of C688-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-0864
  • 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 C688-0864 available by request