G862-0650 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-methoxy-2-[(phenylsulfanyl)methyl]pyridin-4-yl}oxy)acetamide

G862-0650 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-methoxy-2-[(phenylsulfanyl)methyl]pyridin-4-yl}oxy)acetamide
G862-0650 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-methoxy-2-[(phenylsulfanyl)methyl]pyridin-4-yl}oxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G862-0650
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-methoxy-2-[(phenylsulfanyl)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

G862-0650

Molecular Formula

C23H22N2O5S (C23 H22 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cnc(CSc2ccccc2)cc1OCC(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C23H22N2O5S/c1-27-22-12-24-17(14-31-18-5-3-2-4-6-18)10-21(22)28-13-23(26)25-11-16-7-8-19-20(9-16)30-15-29-19/h2-10,12H,11,13-15H2,1H3,(H,25,26)

InChI Key

NKXFBAJAXRWDEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.278

Distribution Coefficient, logD

3.278

Water Solubility, LogSw

-3.40

Polar Surface Area

66.131

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

G862-0650 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 G862-0650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G862-0650?
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What is the minimum amount of G862-0650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G862-0650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G862-0650
  • 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 G862-0650 available by request