G862-0333 Screening compound: 2-[(5-methoxy-2-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}pyridin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]acetamide

G862-0333 Screening compound: 2-[(5-methoxy-2-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}pyridin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]acetamide
G862-0333 Screening compound: 2-[(5-methoxy-2-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}pyridin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G862-0333
2-[(5-methoxy-2-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}pyridin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]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

G862-0333

Molecular Formula

C18H17F3N6O3S (C18 H17 F3 N6 O3 S)

Compound Name

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

IUPAC name

2-[(5-methoxy-2-{[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]methyl}pyridin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

Cn1nnnc1SCc(cc1OCC(Nc2cc(C(F)(F)F)ccc2)=O)ncc1OC

InChI

InChI=1S/C18H17F3N6O3S/c1-27-17(24-25-26-27)31-10-13-7-14(15(29-2)8-22-13)30-9-16(28)23-12-5-3-4-11(6-12)18(19,20)21/h3-8H,9-10H2,1-2H3,(H,23,28)

InChI Key

QYSSAMXGWCAWCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.717

Distribution Coefficient, logD

2.586

Water Solubility, LogSw

-3.19

Polar Surface Area

88.037

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

6.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

G862-0333 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 G862-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G862-0333?
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What is the minimum amount of G862-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G862-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G862-0333
  • 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 G862-0333 available by request