Y021-2195 Screening compound: N-(2-amino-4-phenyl-1H-imidazol-1-yl)-N-(2-methoxybenzyl)amine

Y021-2195 Screening compound: N-(2-amino-4-phenyl-1H-imidazol-1-yl)-N-(2-methoxybenzyl)amine
Y021-2195 Screening compound: N-(2-amino-4-phenyl-1H-imidazol-1-yl)-N-(2-methoxybenzyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2195
N-(2-amino-4-phenyl-1H-imidazol-1-yl)-N-(2-methoxybenzyl)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

Y021-2195

Molecular Formula

C17H18N4O (C17 H18 N4 O)

Compound Name

N-(2-amino-4-phenyl-1H-imidazol-1-yl)-N-(2-methoxybenzyl)amine

IUPAC name

N1-[(2-methoxyphenyl)methyl]-4-phenyl-1H-imidazole-12-diamine

SMILES

COc1c(CNn2c(N)nc(-c3ccccc3)c2)cccc1

InChI

InChI=1S/C17H18N4O/c1-22-16-10-6-5-9-14(16)11-19-21-12-15(20-17(21)18)13-7-3-2-4-8-13/h2-10,12,19H,11H2,1H3,(H2,18,20)

InChI Key

GNWKPJQMHBJUNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28384429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.136

Distribution Coefficient, logD

3.132

Water Solubility, LogSw

-3.20

Polar Surface Area

52.178

Acid Dissociation Constant (pKa)

17.62

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

Y021-2195 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with Y021-2195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2195?
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What is the minimum amount of Y021-2195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2195
  • 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 Y021-2195 available by request