G862-0251 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methoxy-2-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyridin-4-yl)oxy]acetamide

G862-0251 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methoxy-2-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyridin-4-yl)oxy]acetamide
G862-0251 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methoxy-2-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyridin-4-yl)oxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G862-0251
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methoxy-2-{[(5-methyl-1,3,4-thiadiazol-2-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

G862-0251

Molecular Formula

C20H20N4O5S2 (C20 H20 N4 O5 S2)

Compound Name

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

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-[(5-methoxy-2-{[(5-methyl-134-thiadiazol-2-yl)sulfanyl]methyl}pyridin-4-yl)oxy]acetamide

SMILES

Cc1nnc(SCc(cc2OCC(Nc(cc3)cc4c3OCCO4)=O)ncc2OC)s1

InChI

InChI=1S/C20H20N4O5S2/c1-12-23-24-20(31-12)30-11-14-8-17(18(26-2)9-21-14)29-10-19(25)22-13-3-4-15-16(7-13)28-6-5-27-15/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,22,25)

InChI Key

LMCROQPHBZUPSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

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

1.569

Distribution Coefficient, logD

1.565

Water Solubility, LogSw

-2.36

Polar Surface Area

86.188

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

G862-0251 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with G862-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G862-0251?
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What is the minimum amount of G862-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G862-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G862-0251
  • 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 G862-0251 available by request