C688-1351 Screening compound: N~1~-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide
Chemical Structure Depiction of ChemDiv screening compound C688-1351
N~1~-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide
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
C688-1351
Molecular Formula
C26H21N3O5S (C26 H21 N3 O5 S)
Compound Name
N~1~-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide
IUPAC name
N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-46-dioxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-3-yl]acetamide
SMILES
COc(cc1)ccc1NC(CN(c1c(C(N2c(cc3)ccc3OC)=O)sc3c1cccc3)C2=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
487.54
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
4.467
Distribution Coefficient, logD
4.467
Water Solubility, LogSw
-4.24
Polar Surface Area
70.796
Acid Dissociation Constant (pKa)
12.61
Base Dissociation Constant (pKb)
2.18
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
11.54
C688-1351 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Cancer
References: we are preparing a list of scientific research reports with C688-1351 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)