K272-1620 Screening compound: 10-(3-bromophenyl)-6-methoxy-N~13~,N~13~,9-trimethyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide
Chemical Structure Depiction of ChemDiv screening compound K272-1620
10-(3-bromophenyl)-6-methoxy-N~13~,N~13~,9-trimethyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide
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
K272-1620
Molecular Formula
C21H22BrN3O3S (C21 H22 BrN3 O3 S)
Compound Name
10-(3-bromophenyl)-6-methoxy-N~13~,N~13~,9-trimethyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide
IUPAC name
10-(3-bromophenyl)-6-methoxy-NN9-trimethyl-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-13-carboxamide
SMILES
CC(C(C1N2)C(N(C)C)=O)(N(c3cccc(Br)c3)C2=S)Oc2c1cccc2OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
476.39
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.343
Distribution Coefficient, logD
3.343
Water Solubility, LogSw
-3.85
Polar Surface Area
43.827
Acid Dissociation Constant (pKa)
13.77
Base Dissociation Constant (pKb)
3.72
Number of Chiral Centers
3.00
Percent sp3 carbon bonding
33.30
References: we are preparing a list of scientific research reports with K272-1620 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)