G878-0056 Screening compound: N-(2-fluorophenyl)-2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

G878-0056 Screening compound: N-(2-fluorophenyl)-2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
G878-0056 Screening compound: N-(2-fluorophenyl)-2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G878-0056
N-(2-fluorophenyl)-2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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

G878-0056

Molecular Formula

C25H20FN5O2S (C25 H20 FN5 O2 S)

Compound Name

N-(2-fluorophenyl)-2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-(2-fluorophenyl)-2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

COc1cccc(-n2c(SCC(Nc(cccc3)c3F)=O)nnc2-c2c[nH]c3c2cccc3)c1

InChI

InChI=1S/C25H20FN5O2S/c1-33-17-8-6-7-16(13-17)31-24(19-14-27-21-11-4-2-9-18(19)21)29-30-25(31)34-15-23(32)28-22-12-5-3-10-20(22)26/h2-14,27H,15H2,1H3,(H,28,32)

InChI Key

OWPSEONUPSIVFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05002887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.831

Distribution Coefficient, logD

4.831

Water Solubility, LogSw

-4.77

Polar Surface Area

64.579

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with G878-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G878-0056?
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What is the minimum amount of G878-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G878-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G878-0056
  • 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 G878-0056 available by request