3416-0225 Screening compound: 9,10-dioxo-N-[3-(trifluoromethyl)phenyl]-9,10-dihydroanthracene-2-sulfonamide
Chemical Structure Depiction of ChemDiv screening compound 3416-0225
9,10-dioxo-N-[3-(trifluoromethyl)phenyl]-9,10-dihydroanthracene-2-sulfonamide
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
3416-0225
Molecular Formula
C21H12F3NO4S (C21 H12 F3 NO4 S)
Compound Name
9,10-dioxo-N-[3-(trifluoromethyl)phenyl]-9,10-dihydroanthracene-2-sulfonamide
IUPAC name
910-dioxo-N-[3-(trifluoromethyl)phenyl]-910-dihydroanthracene-2-sulfonamide
SMILES
O=C(c1c2cccc1)c(ccc(S(Nc1cc(C(F)(F)F)ccc1)(=O)=O)c1)c1C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
431.39
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
5.328
Distribution Coefficient, logD
3.818
Water Solubility, LogSw
-5.81
Polar Surface Area
66.830
Acid Dissociation Constant (pKa)
5.90
Base Dissociation Constant (pKb)
-12.51
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
4.80
3416-0225 in Drug Discovery
Included in Screening Libraries
Included in 1.7M Stock Database
- Cancer
- Endocrine
- PPI modulators
References: we are preparing a list of scientific research reports with 3416-0225 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)