C200-6451 Screening compound: 5-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-cyclopentylpentanamide
Chemical Structure Depiction of ChemDiv screening compound C200-6451
5-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-cyclopentylpentanamide
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
C200-6451
Molecular Formula
C25H27ClFN3O3 (C25 H27 ClFN3 O3)
Compound Name
5-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-cyclopentylpentanamide
IUPAC name
5-{1-[(2-chloro-4-fluorophenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}-N-cyclopentylpentanamide
SMILES
O=C(CCCCN(C(c(cccc1)c1N1Cc(ccc(F)c2)c2Cl)=O)C1=O)NC1CCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
471.96
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.387
Distribution Coefficient, logD
4.387
Water Solubility, LogSw
-4.58
Polar Surface Area
55.808
Acid Dissociation Constant (pKa)
16.14
Base Dissociation Constant (pKb)
4.93
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
40.00
C200-6451 in Drug Discovery
Included in Screening Libraries
Protein Kinases Inhibitors Library (36801 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Kinases
References: we are preparing a list of scientific research reports with C200-6451 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)