8019-2198 Screening compound: 1-{1-[4-(2-methoxyphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol

8019-2198 Screening compound: 1-{1-[4-(2-methoxyphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol
8019-2198 Screening compound: 1-{1-[4-(2-methoxyphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-2198
1-{1-[4-(2-methoxyphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol

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

8019-2198

Molecular Formula

C20H24N2O3 (C20 H24 N2 O3)

Compound Name

1-{1-[4-(2-methoxyphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol

IUPAC name

1-{1-[4-(2-methoxyphenoxy)butyl]-1H-13-benzodiazol-2-yl}ethan-1-ol

SMILES

CC(c1nc(cccc2)c2n1CCCCOc(cccc1)c1OC)O

InChI

InChI=1S/C20H24N2O3/c1-15(23)20-21-16-9-3-4-10-17(16)22(20)13-7-8-14-25-19-12-6-5-11-18(19)24-2/h3-6,9-12,15,23H,7-8,13-14H2,1-2H3/t15-/m0/s1

InChI Key

GQANXKSOSUOGOB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06490559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.477

Distribution Coefficient, logD

3.476

Water Solubility, LogSw

-3.44

Polar Surface Area

41.291

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

8019-2198 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8019-2198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-2198?
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What is the minimum amount of 8019-2198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-2198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-2198
  • 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 8019-2198 available by request