G878-0043 Screening compound: 2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one

G878-0043 Screening compound: 2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
G878-0043 Screening compound: 2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G878-0043
2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)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

G878-0043

Molecular Formula

C25H27N5O2S (C25 H27 N5 O2 S)

Compound Name

2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one

IUPAC name

2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one

SMILES

CC(CC1)CCN1C(CSc1nnc(-c2c[nH]c3c2cccc3)n1-c1cc(OC)ccc1)=O

InChI

InChI=1S/C25H27N5O2S/c1-17-10-12-29(13-11-17)23(31)16-33-25-28-27-24(21-15-26-22-9-4-3-8-20(21)22)30(25)18-6-5-7-19(14-18)32-2/h3-9,14-15,17,26H,10-13,16H2,1-2H3

InChI Key

JCKNYTMRHXCEMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05002871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.644

Distribution Coefficient, logD

4.644

Water Solubility, LogSw

-4.24

Polar Surface Area

58.520

Acid Dissociation Constant (pKa)

18.82

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with G878-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G878-0043?
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What is the minimum amount of G878-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G878-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G878-0043
  • 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 G878-0043 available by request