Y600-0831 Screening compound: N-(4-phenoxyphenyl)-N'-tetrahydro-2-furanylmethylthiourea
Chemical Structure Depiction of ChemDiv screening compound Y600-0831
N-(4-phenoxyphenyl)-N'-tetrahydro-2-furanylmethylthiourea
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
Y600-0831
Molecular Formula
C18H20N2O2S (C18 H20 N2 O2 S)
Compound Name
N-(4-phenoxyphenyl)-N'-tetrahydro-2-furanylmethylthiourea
IUPAC name
3-[(oxolan-2-yl)methyl]-1-(4-phenoxyphenyl)thiourea
SMILES
S=C(NCC1OCCC1)Nc(cc1)ccc1Oc1ccccc1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
328.44
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.687
Distribution Coefficient, logD
3.687
Water Solubility, LogSw
-4.03
Polar Surface Area
35.785
Acid Dissociation Constant (pKa)
14.71
Base Dissociation Constant (pKb)
1.27
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
27.78
Y600-0831 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 Y600-0831 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)