C085-1726 Screening compound: N-(4-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}phenyl)propanamide
Chemical Structure Depiction of ChemDiv screening compound C085-1726
N-(4-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}phenyl)propanamide
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
C085-1726
Molecular Formula
C19H22N4O5S (C19 H22 N4 O5 S)
Compound Name
N-(4-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}phenyl)propanamide
IUPAC name
N-(4-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}phenyl)propanamide
SMILES
CCC(Nc(cc1)ccc1S(N(CC1)CCN1c(cc1)ccc1[N+]([O-])=O)(=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
418.47
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
2.765
Distribution Coefficient, logD
2.764
Water Solubility, LogSw
-3.41
Polar Surface Area
91.741
Acid Dissociation Constant (pKa)
10.28
Base Dissociation Constant (pKb)
-1.01
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
31.60
C085-1726 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
Included in 1.7M Stock Database
- Cancer
References: we are preparing a list of scientific research reports with C085-1726 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)