G862-0471 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-[(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyridin-4-yl)oxy]ethan-1-one

G862-0471 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-[(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyridin-4-yl)oxy]ethan-1-one
G862-0471 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-[(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyridin-4-yl)oxy]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G862-0471
1-(2,3-dihydro-1H-indol-1-yl)-2-[(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyridin-4-yl)oxy]ethan-1-one

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

G862-0471

Molecular Formula

C22H22N4O3S (C22 H22 N4 O3 S)

Compound Name

1-(2,3-dihydro-1H-indol-1-yl)-2-[(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyridin-4-yl)oxy]ethan-1-one

IUPAC name

1-(23-dihydro-1H-indol-1-yl)-2-[(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyridin-4-yl)oxy]ethan-1-one

SMILES

Cc1ccnc(SCc(cc2OCC(N(CC3)c4c3cccc4)=O)ncc2OC)n1

InChI

InChI=1S/C22H22N4O3S/c1-15-7-9-23-22(25-15)30-14-17-11-19(20(28-2)12-24-17)29-13-21(27)26-10-8-16-5-3-4-6-18(16)26/h3-7,9,11-12H,8,10,13-14H2,1-2H3

InChI Key

TVNWKCWHIRDUFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.816

Distribution Coefficient, logD

2.815

Water Solubility, LogSw

-3.07

Polar Surface Area

57.499

Acid Dissociation Constant (pKa)

21.93

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G862-0471 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G862-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G862-0471?
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What is the minimum amount of G862-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G862-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G862-0471
  • 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 G862-0471 available by request