Y010-1440 Screening compound: N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide
Chemical Structure Depiction of ChemDiv screening compound Y010-1440
N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide
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
Y010-1440
Molecular Formula
C19H22ClNO2 (C19 H22 ClNO2)
Compound Name
N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide
IUPAC name
N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide
SMILES
CC(CC(Nc1cccc(Cl)c1C)=O)Cc(cc1)ccc1OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
331.84
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
5.198
Distribution Coefficient, logD
5.192
Water Solubility, LogSw
-5.67
Polar Surface Area
29.962
Acid Dissociation Constant (pKa)
9.26
Base Dissociation Constant (pKb)
-0.80
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
31.60
Y010-1440 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with Y010-1440 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)