D485-0853 Screening compound: N-{2-[(4-chlorophenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-benzofuran-3-yl}benzamide
Chemical Structure Depiction of ChemDiv screening compound D485-0853
N-{2-[(4-chlorophenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-benzofuran-3-yl}benzamide
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
D485-0853
Molecular Formula
C28H28ClN3O3 (C28 H28 ClN3 O3)
Compound Name
N-{2-[(4-chlorophenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-benzofuran-3-yl}benzamide
IUPAC name
N-{2-[(4-chlorophenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-benzofuran-3-yl}benzamide
SMILES
OCCN(CC1)CCN1C(c(oc1c2cccc1)c2NC(c1ccccc1)=O)c(cc1)ccc1Cl
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
490
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.386
Distribution Coefficient, logD
4.214
Water Solubility, LogSw
-4.78
Polar Surface Area
53.659
Acid Dissociation Constant (pKa)
10.83
Base Dissociation Constant (pKb)
7.09
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
25.00
D485-0853 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Anticancer Library (62698 compounds)
Included in 1.7M Stock Database
- Cancer
References: we are preparing a list of scientific research reports with D485-0853 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)