V008-5345 Screening compound: 4-(4-{2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}phenyl)morpholine
Chemical Structure Depiction of ChemDiv screening compound V008-5345
4-(4-{2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}phenyl)morpholine
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
V008-5345
Molecular Formula
C26H25F2N7O2 (C26 H25 F2 N7 O2)
Compound Name
4-(4-{2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}phenyl)morpholine
IUPAC name
4-(4-{2-[4-(26-difluorobenzoyl)piperazin-1-yl]-[124]triazolo[15-a]pyrimidin-7-yl}phenyl)morpholine
SMILES
O=C(c(c(F)ccc1)c1F)N(CC1)CCN1c1nn2c(-c(cc3)ccc3N3CCOCC3)ccnc2n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
505.53
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
3.069
Distribution Coefficient, logD
3.069
Water Solubility, LogSw
-3.11
Polar Surface Area
60.410
Acid Dissociation Constant (pKa)
20.52
Base Dissociation Constant (pKb)
8.25
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.77
V008-5345 in Drug Discovery
Included in Screening Libraries
PI3K-Targeted Library (17255 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
References: we are preparing a list of scientific research reports with V008-5345 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)