G878-0038 Screening compound: 3-[3-(sec-butylsulfanyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-4-yl]phenyl methyl ether

G878-0038 Screening compound: 3-[3-(sec-butylsulfanyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-4-yl]phenyl methyl ether
G878-0038 Screening compound: 3-[3-(sec-butylsulfanyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-4-yl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound G878-0038
3-[3-(sec-butylsulfanyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-4-yl]phenyl methyl ether

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

G878-0038

Molecular Formula

C21H22N4OS (C21 H22 N4 OS)

Compound Name

3-[3-(sec-butylsulfanyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-4-yl]phenyl methyl ether

IUPAC name

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

SMILES

CCC(C)Sc1nnc(-c2c[nH]c3c2cccc3)n1-c1cc(OC)ccc1

InChI

InChI=1S/C21H22N4OS/c1-4-14(2)27-21-24-23-20(18-13-22-19-11-6-5-10-17(18)19)25(21)15-8-7-9-16(12-15)26-3/h5-14,22H,4H2,1-3H3/t14-/m0/s1

InChI Key

FWMYWRQTDTUNIR-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD05002865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.408

Distribution Coefficient, logD

5.408

Water Solubility, LogSw

-5.78

Polar Surface Area

42.399

Acid Dissociation Constant (pKa)

18.82

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.81

G878-0038 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G878-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G878-0038?
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What is the minimum amount of G878-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G878-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G878-0038
  • 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 G878-0038 available by request