8018-7155 Screening compound: 4-[4-(2-amino-2-oxoethoxy)phenyl]-N~3~-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound 8018-7155
4-[4-(2-amino-2-oxoethoxy)phenyl]-N~3~-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide
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
8018-7155
Molecular Formula
C28H26ClN5O5 (C28 H26 ClN5 O5)
Compound Name
4-[4-(2-amino-2-oxoethoxy)phenyl]-N~3~-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide
IUPAC name
13-[4-(carbamoylmethoxy)phenyl]-N-(4-chloro-25-dimethoxyphenyl)-11-methyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene-12-carboxamide
SMILES
CC(Nc1nc(cccc2)c2n1C1c(cc2)ccc2OCC(N)=O)=C1C(Nc(c(OC)c1)cc(OC)c1Cl)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
548
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
4.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
3.877
Distribution Coefficient, logD
3.861
Water Solubility, LogSw
-4.40
Polar Surface Area
102.575
Acid Dissociation Constant (pKa)
8.85
Base Dissociation Constant (pKb)
-4.28
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
17.90
8018-7155 in Drug Discovery
Included in Screening Libraries
Chelators targeting matrix metalloproteinases library (8930 compounds)
DGK Inhibitors Library (10558 compounds)
Nucleic Acid Ligands (8311 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Cardiovascular
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Infections
- Cancer
- Musculoskeletal
- Nervous system
- Hemic and lymphatic
- Immune system
- Proteases
- Kinases
References: we are preparing a list of scientific research reports with 8018-7155 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of 8018-7155, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)