F685-0310 Screening compound: 2-(2-fluorobenzamido)-5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]benzoic acid
Chemical Structure Depiction of ChemDiv screening compound F685-0310
2-(2-fluorobenzamido)-5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]benzoic acid
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
F685-0310
Molecular Formula
C23H22FN5O3 (C23 H22 FN5 O3)
Compound Name
2-(2-fluorobenzamido)-5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]benzoic acid
IUPAC name
2-(2-fluorobenzamido)-5-[4-(pyrimidin-2-yl)-14-diazepan-1-yl]benzoic acid
SMILES
OC(c(cc(cc1)N(CCC2)CCN2c2ncccn2)c1NC(c(cccc1)c1F)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
CF3COOH
Molecular Weight
435.46
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.584
Distribution Coefficient, logD
-0.532
Water Solubility, LogSw
-3.74
Polar Surface Area
76.446
Acid Dissociation Constant (pKa)
2.57
Base Dissociation Constant (pKb)
2.56
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
21.70
F685-0310 in Drug Discovery
Included in Screening Libraries
Integrin Receptors Targeted library (1715 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
Protein-Protein Interaction Library (218420 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Digestive system
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Immune system
- Hemic and lymphatic
- Cardiovascular
- Others
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with F685-0310 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)