Y500-1750 Screening compound: 1-(difluoromethyl)-N-[2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound Y500-1750
1-(difluoromethyl)-N-[2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-1H-pyrazole-3-carboxamide
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
Y500-1750
Molecular Formula
C13H11F2N5O2S (C13 H11 F2 N5 O2 S)
Compound Name
1-(difluoromethyl)-N-[2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-1H-pyrazole-3-carboxamide
IUPAC name
1-(difluoromethyl)-N-{26-dimethyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}-1H-pyrazole-3-carboxamide
SMILES
Cc1cc(C(N(C(C)=N2)NC(c3nn(C(F)F)cc3)=O)=O)c2s1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
339.33
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
0.617
Distribution Coefficient, logD
0.617
Water Solubility, LogSw
-2.35
Polar Surface Area
64.451
Acid Dissociation Constant (pKa)
11.12
Base Dissociation Constant (pKb)
-0.62
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
23.08
Y500-1750 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 Y500-1750 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)