7491-0198 Screening compound: 1-(4-methoxyphenyl)-N-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazol-5-amine

7491-0198 Screening compound: 1-(4-methoxyphenyl)-N-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazol-5-amine
7491-0198 Screening compound: 1-(4-methoxyphenyl)-N-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7491-0198
1-(4-methoxyphenyl)-N-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazol-5-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

7491-0198

Molecular Formula

C20H18N4O (C20 H18 N4 O)

Compound Name

1-(4-methoxyphenyl)-N-[(pyridin-2-yl)methyl]-1H-1,3-benzodiazol-5-amine

IUPAC name

1-(4-methoxyphenyl)-N-[(pyridin-2-yl)methyl]-1H-13-benzodiazol-5-amine

SMILES

COc(cc1)ccc1-n1c(ccc(NCc2ncccc2)c2)c2nc1

InChI

InChI=1S/C20H18N4O/c1-25-18-8-6-17(7-9-18)24-14-23-19-12-15(5-10-20(19)24)22-13-16-4-2-3-11-21-16/h2-12,14,22H,13H2,1H3

InChI Key

AWOASPZWSBGCON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06593991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.308

Distribution Coefficient, logD

3.051

Water Solubility, LogSw

-3.55

Polar Surface Area

38.204

Acid Dissociation Constant (pKa)

18.65

Base Dissociation Constant (pKb)

7.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

7491-0198 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7491-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7491-0198?
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What is the minimum amount of 7491-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7491-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7491-0198
  • 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 7491-0198 available by request