G862-0419 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({5-methoxy-2-[(pyrimidin-2-ylsulfanyl)methyl]pyridin-4-yl}oxy)acetamide

G862-0419 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({5-methoxy-2-[(pyrimidin-2-ylsulfanyl)methyl]pyridin-4-yl}oxy)acetamide
G862-0419 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({5-methoxy-2-[(pyrimidin-2-ylsulfanyl)methyl]pyridin-4-yl}oxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G862-0419
N-(2H-1,3-benzodioxol-5-yl)-2-({5-methoxy-2-[(pyrimidin-2-ylsulfanyl)methyl]pyridin-4-yl}oxy)acetamide

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

G862-0419

Molecular Formula

C20H18N4O5S (C20 H18 N4 O5 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-({5-methoxy-2-[(pyrimidin-2-ylsulfanyl)methyl]pyridin-4-yl}oxy)acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-({5-methoxy-2-[(pyrimidin-2-ylsulfanyl)methyl]pyridin-4-yl}oxy)acetamide

SMILES

COc1cnc(CSc2ncccn2)cc1OCC(Nc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C20H18N4O5S/c1-26-18-9-23-14(11-30-20-21-5-2-6-22-20)8-17(18)27-10-19(25)24-13-3-4-15-16(7-13)29-12-28-15/h2-9H,10-12H2,1H3,(H,24,25)

InChI Key

FUZIRWDBRMLOMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.191

Distribution Coefficient, logD

2.190

Water Solubility, LogSw

-2.77

Polar Surface Area

82.966

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G862-0419 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 G862-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G862-0419?
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What is the minimum amount of G862-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G862-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G862-0419
  • 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 G862-0419 available by request