Y042-4747 Screening compound: 1-(4-fluorophenyl)-5-oxo-N-[4-(2-thienyl)-1,3-thiazol-2-yl]-3-pyrrolidinecarboxamide
Chemical Structure Depiction of ChemDiv screening compound Y042-4747
1-(4-fluorophenyl)-5-oxo-N-[4-(2-thienyl)-1,3-thiazol-2-yl]-3-pyrrolidinecarboxamide
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
Y042-4747
Molecular Formula
C18H14FN3O2S2 (C18 H14 FN3 O2 S2)
Compound Name
1-(4-fluorophenyl)-5-oxo-N-[4-(2-thienyl)-1,3-thiazol-2-yl]-3-pyrrolidinecarboxamide
IUPAC name
1-(4-fluorophenyl)-5-oxo-N-[4-(thiophen-2-yl)-13-thiazol-2-yl]pyrrolidine-3-carboxamide
SMILES
O=C(C(CC1=O)CN1c(cc1)ccc1F)Nc1nc(-c2cccs2)cs1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
387.46
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.591
Distribution Coefficient, logD
3.590
Water Solubility, LogSw
-3.66
Polar Surface Area
50.873
Acid Dissociation Constant (pKa)
10.22
Base Dissociation Constant (pKb)
0.14
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
16.67
Y042-4747 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
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 Y042-4747 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)