K906-1843 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide
Chemical Structure Depiction of ChemDiv screening compound K906-1843
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide
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
K906-1843
Molecular Formula
C22H25N3O7S2 (C22 H25 N3 O7 S2)
Compound Name
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide
IUPAC name
N-[(23-dihydro-14-benzodioxin-2-yl)methyl]-2-(3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide
SMILES
CN(c(ccc(S(NC(CCSC)C(NCC1Oc(cccc2)c2OC1)=O)(=O)=O)c1)c1O1)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
507.59
Hydrogen Bond Acceptors Count
13.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
2.186
Distribution Coefficient, logD
2.185
Water Solubility, LogSw
-2.88
Polar Surface Area
105.071
Acid Dissociation Constant (pKa)
10.58
Base Dissociation Constant (pKb)
-1.50
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
36.40
K906-1843 in Drug Discovery
Included in Screening Libraries
Aurora A-B Kinases Targeted Library (9426 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Male
- Female
- Hemic and lymphatic
- Kinases
References: we are preparing a list of scientific research reports with K906-1843 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)