G878-0012 Screening compound: 3-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1H-indole

G878-0012 Screening compound: 3-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1H-indole
G878-0012 Screening compound: 3-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound G878-0012
3-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-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

G878-0012

Molecular Formula

C19H17BrN4S (C19 H17 BrN4 S)

Compound Name

3-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1H-indole

IUPAC name

3-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-4H-124-triazol-3-yl)-1H-indole

SMILES

CCn1c(SCc(cc2)ccc2Br)nnc1-c1c[nH]c2c1cccc2

InChI

InChI=1S/C19H17BrN4S/c1-2-24-18(16-11-21-17-6-4-3-5-15(16)17)22-23-19(24)25-12-13-7-9-14(20)10-8-13/h3-11,21H,2,12H2,1H3

InChI Key

DJVSIARHZFHHIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05002820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.118

Distribution Coefficient, logD

5.118

Water Solubility, LogSw

-5.23

Polar Surface Area

33.836

Acid Dissociation Constant (pKa)

18.69

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with G878-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G878-0012?
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What is the minimum amount of G878-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G878-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G878-0012
  • 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 G878-0012 available by request