E958-0674 Screening compound: 1-benzyl-4-(5-{2-[(piperidin-1-yl)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperazine
Chemical Structure Depiction of ChemDiv screening compound E958-0674
1-benzyl-4-(5-{2-[(piperidin-1-yl)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperazine
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
E958-0674
Molecular Formula
C23H30N6S (C23 H30 N6 S)
Compound Name
1-benzyl-4-(5-{2-[(piperidin-1-yl)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperazine
IUPAC name
1-benzyl-4-(5-{2-[(piperidin-1-yl)methyl]-1H-pyrrol-1-yl}-134-thiadiazol-2-yl)piperazine
SMILES
C(c1cccn1-c1nnc(N2CCN(Cc3ccccc3)CC2)s1)N1CCCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
422.6
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.791
Distribution Coefficient, logD
3.620
Water Solubility, LogSw
-3.91
Polar Surface Area
36.627
Acid Dissociation Constant (pKa)
22.97
Base Dissociation Constant (pKb)
7.08
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
47.80
E958-0674 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS BBB Library (22607 compounds)
Included in 1.7M Stock Database
- Nervous system
References: we are preparing a list of scientific research reports with E958-0674 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)