K906-4871 Screening compound: N3,N4-dicyclooctyl-1-methyl-1H-pyrrole-3,4-disulfonamide
Chemical Structure Depiction of ChemDiv screening compound K906-4871
N3,N4-dicyclooctyl-1-methyl-1H-pyrrole-3,4-disulfonamide
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
K906-4871
Molecular Formula
C21H37N3O4S2 (C21 H37 N3 O4 S2)
Compound Name
N3,N4-dicyclooctyl-1-methyl-1H-pyrrole-3,4-disulfonamide
IUPAC name
N3N4-dicyclooctyl-1-methyl-1H-pyrrole-34-disulfonamide
SMILES
Cn(cc1S(NC2CCCCCCC2)(=O)=O)cc1S(NC1CCCCCCC1)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
459.67
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.552
Distribution Coefficient, logD
4.552
Water Solubility, LogSw
-4.21
Polar Surface Area
88.465
Acid Dissociation Constant (pKa)
11.71
Base Dissociation Constant (pKb)
-0.53
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
81.00
K906-4871 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Akt-Targeted Library (14764 compounds)
Included in 1.7M Stock Database
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
References: we are preparing a list of scientific research reports with K906-4871 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)