V028-1007 Screening compound: 8-(2,4-difluorobenzoyl)-4-(furan-2-carbonyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane
Chemical Structure Depiction of ChemDiv screening compound V028-1007
8-(2,4-difluorobenzoyl)-4-(furan-2-carbonyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane
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
V028-1007
Molecular Formula
C24H25F2N3O5 (C24 H25 F2 N3 O5)
Compound Name
8-(2,4-difluorobenzoyl)-4-(furan-2-carbonyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane
IUPAC name
8-(24-difluorobenzoyl)-4-(furan-2-carbonyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-48-diazaspiro[4.5]decane
SMILES
O=C(C(COC1(CC2)CCN2C(c(ccc(F)c2)c2F)=O)N1C(c1ccco1)=O)N1CCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
473.48
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
1.983
Distribution Coefficient, logD
1.983
Water Solubility, LogSw
-2.62
Polar Surface Area
65.175
Acid Dissociation Constant (pKa)
21.12
Base Dissociation Constant (pKb)
-1.25
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
45.80
V028-1007 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS MPO Library (28609 compounds)
Anti-HIV1 Library (19540 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Nervous system
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with V028-1007 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)