F733-0950 Screening compound: (4-{[6-(3-fluorophenyl)-4-pyrimidinyl]amino}phenyl)(1-pyrrolidinyl)methanone
Chemical Structure Depiction of ChemDiv screening compound F733-0950
(4-{[6-(3-fluorophenyl)-4-pyrimidinyl]amino}phenyl)(1-pyrrolidinyl)methanone
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
F733-0950
Molecular Formula
C21H19FN4O (C21 H19 FN4 O)
Compound Name
(4-{[6-(3-fluorophenyl)-4-pyrimidinyl]amino}phenyl)(1-pyrrolidinyl)methanone
IUPAC name
6-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrimidin-4-amine
SMILES
O=C(c(cc1)ccc1Nc1cc(-c2cccc(F)c2)ncn1)N1CCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
362.41
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.059
Distribution Coefficient, logD
3.993
Water Solubility, LogSw
-4.20
Polar Surface Area
46.271
Acid Dissociation Constant (pKa)
17.08
Base Dissociation Constant (pKb)
6.62
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
19.05
F733-0950 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
Anticancer Library (62698 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Cancer
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Kinases
- Kinases
References: we are preparing a list of scientific research reports with F733-0950 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)