C200-1054 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
Chemical Structure Depiction of ChemDiv screening compound C200-1054
N~1~-[2-(1-cyclohexenyl)ethyl]-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-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
C200-1054
Molecular Formula
C28H33N3O5S (C28 H33 N3 O5 S)
Compound Name
N~1~-[2-(1-cyclohexenyl)ethyl]-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
IUPAC name
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[4-(24-dimethoxyphenyl)-35-dioxo-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-6-yl]acetamide
SMILES
COc(cc1)cc(OC)c1N(C(c1c(N2CC(NCCC3=CCCCC3)=O)sc3c1CCCC3)=O)C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
523.65
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
4.389
Distribution Coefficient, logD
4.389
Water Solubility, LogSw
-4.50
Polar Surface Area
70.406
Acid Dissociation Constant (pKa)
15.55
Base Dissociation Constant (pKb)
4.38
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
46.40
C200-1054 in Drug Discovery
Included in Screening Libraries
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with C200-1054 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)