G878-0146 Screening compound: 3-[5-(butan-2-ylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]-1H-indole

G878-0146 Screening compound: 3-[5-(butan-2-ylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]-1H-indole
G878-0146 Screening compound: 3-[5-(butan-2-ylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound G878-0146
3-[5-(butan-2-ylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]-1H-indole

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

G878-0146

Molecular Formula

C22H24N4OS (C22 H24 N4 OS)

Compound Name

3-[5-(butan-2-ylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]-1H-indole

IUPAC name

3-[5-(butan-2-ylsulfanyl)-4-(4-ethoxyphenyl)-4H-124-triazol-3-yl]-1H-indole

SMILES

CCC(C)Sc1nnc(-c2c[nH]c3c2cccc3)n1-c(cc1)ccc1OCC

InChI

InChI=1S/C22H24N4OS/c1-4-15(3)28-22-25-24-21(19-14-23-20-9-7-6-8-18(19)20)26(22)16-10-12-17(13-11-16)27-5-2/h6-15,23H,4-5H2,1-3H3/t15-/m0/s1

InChI Key

MGIDVRRGXYMBND-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05003097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.644

Distribution Coefficient, logD

5.644

Water Solubility, LogSw

-5.84

Polar Surface Area

41.978

Acid Dissociation Constant (pKa)

18.82

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with G878-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G878-0146?
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What is the minimum amount of G878-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G878-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G878-0146
  • 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 G878-0146 available by request