G862-0325 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methoxy-2-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}pyridin-4-yl)oxy]acetamide

G862-0325 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methoxy-2-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}pyridin-4-yl)oxy]acetamide
G862-0325 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methoxy-2-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}pyridin-4-yl)oxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G862-0325
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methoxy-2-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]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

G862-0325

Molecular Formula

C19H20N6O5S (C19 H20 N6 O5 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methoxy-2-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}pyridin-4-yl)oxy]acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-[(5-methoxy-2-{[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]methyl}pyridin-4-yl)oxy]acetamide

SMILES

Cn1nnnc1SCc(cc1OCC(Nc(cc2)cc3c2OCCO3)=O)ncc1OC

InChI

InChI=1S/C19H20N6O5S/c1-25-19(22-23-24-25)31-11-13-8-16(17(27-2)9-20-13)30-10-18(26)21-12-3-4-14-15(7-12)29-6-5-28-14/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,21,26)

InChI Key

BELCLMBQEXERMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.646

Distribution Coefficient, logD

0.516

Water Solubility, LogSw

-2.25

Polar Surface Area

103.860

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

6.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G862-0325 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G862-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G862-0325?
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What is the minimum amount of G862-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G862-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G862-0325
  • 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 G862-0325 available by request