D039-0015 Screening compound: ethyl 5-{[(2-bromophenyl)carbamoyl]amino}-2,6-dimethylpyridine-3-carboxylate
Chemical Structure Depiction of ChemDiv screening compound D039-0015
ethyl 5-{[(2-bromophenyl)carbamoyl]amino}-2,6-dimethylpyridine-3-carboxylate
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
D039-0015
Molecular Formula
C17H18BrN3O3 (C17 H18 BrN3 O3)
Compound Name
ethyl 5-{[(2-bromophenyl)carbamoyl]amino}-2,6-dimethylpyridine-3-carboxylate
IUPAC name
ethyl 5-{[(2-bromophenyl)carbamoyl]amino}-26-dimethylpyridine-3-carboxylate
SMILES
CCOC(c1cc(NC(Nc(cccc2)c2Br)=O)c(C)nc1C)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
392.25
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.947
Distribution Coefficient, logD
3.947
Water Solubility, LogSw
-4.00
Polar Surface Area
61.669
Acid Dissociation Constant (pKa)
11.39
Base Dissociation Constant (pKb)
0.69
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
23.50
D039-0015 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
Antiviral Library (67538 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Cancer
- Antiviral
- Infections
- Immune system
- Cancer
- Endocrine
- PPI modulators
- Agro
References: we are preparing a list of scientific research reports with D039-0015 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)