C087-0672 Screening compound: 1-[2-(azepan-1-yl)ethyl]-3-(4-methylphenyl)-1-[(thiophen-2-yl)methyl]thiourea
Chemical Structure Depiction of ChemDiv screening compound C087-0672
1-[2-(azepan-1-yl)ethyl]-3-(4-methylphenyl)-1-[(thiophen-2-yl)methyl]thiourea
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
C087-0672
Molecular Formula
C21H29N3S2 (C21 H29 N3 S2)
Compound Name
1-[2-(azepan-1-yl)ethyl]-3-(4-methylphenyl)-1-[(thiophen-2-yl)methyl]thiourea
IUPAC name
1-[2-(azepan-1-yl)ethyl]-3-(4-methylphenyl)-1-[(thiophen-2-yl)methyl]thiourea
SMILES
Cc(cc1)ccc1NC(N(CCN1CCCCCC1)Cc1cccs1)=S
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
387.61
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
5.308
Distribution Coefficient, logD
2.491
Water Solubility, LogSw
-5.10
Polar Surface Area
15.738
Acid Dissociation Constant (pKa)
15.03
Base Dissociation Constant (pKb)
10.22
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
47.60
References: we are preparing a list of scientific research reports with C087-0672 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)