V004-4767 Screening compound: N-{3-[6-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)pyridin-2-yl]phenyl}-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound V004-4767
N-{3-[6-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)pyridin-2-yl]phenyl}-1-benzothiophene-2-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
V004-4767
Molecular Formula
C28H19N3O3S (C28 H19 N3 O3 S)
Compound Name
N-{3-[6-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)pyridin-2-yl]phenyl}-1-benzothiophene-2-carboxamide
IUPAC name
N-{3-[6-(3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)pyridin-2-yl]phenyl}-1-benzothiophene-2-carboxamide
SMILES
O=C(c1cc(cccc2)c2s1)Nc1cc(-c2nc(-c(cc3)cc(N4)c3OCC4=O)ccc2)ccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
477.54
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
6.470
Distribution Coefficient, logD
6.469
Water Solubility, LogSw
-6.91
Polar Surface Area
65.419
Acid Dissociation Constant (pKa)
12.59
Base Dissociation Constant (pKb)
4.56
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
3.60
V004-4767 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Anticancer Library (62698 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
MCL1 Targeted Library (12200 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Akt-Targeted Library (14764 compounds)
Aurora A-B Kinases Targeted Library (9426 compounds)
Histone Deacetylases (HDAC) Targeted Library (9760 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- 3D
- Cancer
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Cancer
- Digestive system
- Male
- Female
- Hemic and lymphatic
- Cancer
- Nervous system
- Hemic and lymphatic
- Endocrine
- Immune system
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Kinases
- Kinases
- Phosphatases
- Epigenetic
References: we are preparing a list of scientific research reports with V004-4767 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)