D430-1191 Screening compound: N-{4-[(4-{[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)sulfamoyl]phenyl}acetamide
Chemical Structure Depiction of ChemDiv screening compound D430-1191
N-{4-[(4-{[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)sulfamoyl]phenyl}acetamide
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
D430-1191
Molecular Formula
C21H24N6O3S (C21 H24 N6 O3 S)
Compound Name
N-{4-[(4-{[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)sulfamoyl]phenyl}acetamide
IUPAC name
N-{4-[(4-{[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)sulfamoyl]phenyl}acetamide
SMILES
CC(Nc(cc1)ccc1S(Nc(cc1)ccc1Nc1nc(C)nc(N(C)C)c1)(=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
440.53
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
3.096
Distribution Coefficient, logD
1.839
Water Solubility, LogSw
-3.50
Polar Surface Area
94.082
Acid Dissociation Constant (pKa)
9.78
Base Dissociation Constant (pKb)
8.63
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
19.00
D430-1191 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Targeted Diversity Library (40567 compounds)
Included in 1.7M Stock Database
- Cancer
References: we are preparing a list of scientific research reports with D430-1191 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)