Y021-1918 Screening compound: N-(4,6-dimethyl-2-pyrimidinyl)-N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N''-(1-naphthylcarbonyl)guanidine

Y021-1918 Screening compound: N-(4,6-dimethyl-2-pyrimidinyl)-N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N''-(1-naphthylcarbonyl)guanidine
Y021-1918 Screening compound: N-(4,6-dimethyl-2-pyrimidinyl)-N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N''-(1-naphthylcarbonyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1918
N-(4,6-dimethyl-2-pyrimidinyl)-N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N''-(1-naphthylcarbonyl)guanidine

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

Y021-1918

Molecular Formula

C29H28N6O2 (C29 H28 N6 O2)

Compound Name

N-(4,6-dimethyl-2-pyrimidinyl)-N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N''-(1-naphthylcarbonyl)guanidine

IUPAC name

N-[(E)-[(46-dimethylpyrimidin-2-yl)amino]({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino})methylidene]naphthalene-1-carboxamide

SMILES

Cc1nc(N/C(/NCCc2c[nH]c(cc3)c2cc3OC)=N/C(c2cccc3ccccc23)=O)nc(C)c1

InChI

InChI=1S/C29H28N6O2/c1-18-15-19(2)33-29(32-18)35-28(34-27(36)24-10-6-8-20-7-4-5-9-23(20)24)30-14-13-21-17-31-26-12-11-22(37-3)16-25(21)26/h4-12,15-17,31H,13-14H2,1-3H3,(H2,30,32,33,34,35,36)

InChI Key

DLWVZLKLNNWAIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07181065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.573

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-4.64

Polar Surface Area

78.154

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

9.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.24

Y021-1918 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 Y021-1918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1918?
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What is the minimum amount of Y021-1918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1918
  • 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 Y021-1918 available by request