8019-0289 Screening compound: ({3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methyl)[(pyridin-3-yl)methyl]amine

8019-0289 Screening compound: ({3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methyl)[(pyridin-3-yl)methyl]amine
8019-0289 Screening compound: ({3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methyl)[(pyridin-3-yl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0289
({3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methyl)[(pyridin-3-yl)methyl]amine

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

8019-0289

Molecular Formula

C21H20BrClN2O2 (C21 H20 BrClN2 O2)

Compound Name

({3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methyl)[(pyridin-3-yl)methyl]amine

IUPAC name

({3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methyl)[(pyridin-3-yl)methyl]amine

SMILES

COc1cc(CNCc2cnccc2)cc(Br)c1OCc(cccc1)c1Cl

InChI

InChI=1S/C21H20BrClN2O2/c1-26-20-10-16(13-25-12-15-5-4-8-24-11-15)9-18(22)21(20)27-14-17-6-2-3-7-19(17)23/h2-11,25H,12-14H2,1H3

InChI Key

DQDZQGHYXJKMOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07409888

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

447.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.391

Distribution Coefficient, logD

2.496

Water Solubility, LogSw

-4.51

Polar Surface Area

36.553

Acid Dissociation Constant (pKa)

24.31

Base Dissociation Constant (pKb)

9.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

8019-0289 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8019-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0289?
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What is the minimum amount of 8019-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0289
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8019-0289 available by request