C683-0154 Screening compound: 4-(benzylsulfanyl)-7-chloro-2-phenyl-5H-chromeno[2,3-d]pyrimidine
Chemical Structure Depiction of ChemDiv screening compound C683-0154
4-(benzylsulfanyl)-7-chloro-2-phenyl-5H-chromeno[2,3-d]pyrimidine
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
C683-0154
Molecular Formula
C24H17ClN2OS (C24 H17 ClN2 OS)
Compound Name
4-(benzylsulfanyl)-7-chloro-2-phenyl-5H-chromeno[2,3-d]pyrimidine
IUPAC name
4-(benzylsulfanyl)-7-chloro-2-phenyl-5H-chromeno[23-d]pyrimidine
SMILES
Clc(cc1)cc(C2)c1Oc1c2c(SCc2ccccc2)nc(-c2ccccc2)n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
416.93
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
7.429
Distribution Coefficient, logD
7.422
Water Solubility, LogSw
-6.77
Polar Surface Area
26.131
Acid Dissociation Constant (pKa)
9.16
Base Dissociation Constant (pKb)
1.89
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
8.30
C683-0154 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 C683-0154 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)