8008-2027 Screening compound: (E)-N-[(4-methoxyphenyl)methyl]-1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl]-N'-phenylmethanimidamide
Chemical Structure Depiction of ChemDiv screening compound 8008-2027
(E)-N-[(4-methoxyphenyl)methyl]-1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl]-N'-phenylmethanimidamide
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
8008-2027
Molecular Formula
C20H21N3O3S (C20 H21 N3 O3 S)
Compound Name
(E)-N-[(4-methoxyphenyl)methyl]-1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl]-N'-phenylmethanimidamide
IUPAC name
(E)-N-[(4-methoxyphenyl)methyl]-1-[(1-methyl-25-dioxopyrrolidin-3-yl)sulfanyl]-N'-phenylmethanimidamide
SMILES
CN(C(CC1S/C(/NCc(cc2)ccc2OC)=N/c2ccccc2)=O)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
383.47
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.081
Distribution Coefficient, logD
1.991
Water Solubility, LogSw
-2.63
Polar Surface Area
55.960
Acid Dissociation Constant (pKa)
14.81
Base Dissociation Constant (pKb)
6.76
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
25.00
8008-2027 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 8008-2027 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)