8012-4126 Screening compound: 17-(5-acetyl-2-ethoxyphenyl)-1,8-dibromo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione
Chemical Structure Depiction of ChemDiv screening compound 8012-4126
17-(5-acetyl-2-ethoxyphenyl)-1,8-dibromo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione
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
8012-4126
Molecular Formula
C28H21Br2NO4 (C28 H21 Br2 NO4)
Compound Name
17-(5-acetyl-2-ethoxyphenyl)-1,8-dibromo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione
IUPAC name
17-(5-acetyl-2-ethoxyphenyl)-18-dibromo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2(7)359(14)1012-hexaene-1618-dione
SMILES
CCOc(ccc(C(C)=O)c1)c1N(C(C(C1C(c2c3cccc2)(c2c4cccc2)Br)C34Br)=O)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
595.29
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.730
Distribution Coefficient, logD
4.730
Water Solubility, LogSw
-4.51
Polar Surface Area
49.186
Acid Dissociation Constant (pKa)
12.18
Base Dissociation Constant (pKb)
-8.80
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
25.00
References: we are preparing a list of scientific research reports with 8012-4126 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)