G878-0050 Screening compound: N-(2,3-dimethylphenyl)-2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

G878-0050 Screening compound: N-(2,3-dimethylphenyl)-2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
G878-0050 Screening compound: N-(2,3-dimethylphenyl)-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 G878-0050
N-(2,3-dimethylphenyl)-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

G878-0050

Molecular Formula

C27H25N5O2S (C27 H25 N5 O2 S)

Compound Name

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

IUPAC name

N-(23-dimethylphenyl)-2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

Cc1cccc(NC(CSc2nnc(-c3c[nH]c4c3cccc4)n2-c2cc(OC)ccc2)=O)c1C

InChI

InChI=1S/C27H25N5O2S/c1-17-8-6-13-23(18(17)2)29-25(33)16-35-27-31-30-26(22-15-28-24-12-5-4-11-21(22)24)32(27)19-9-7-10-20(14-19)34-3/h4-15,28H,16H2,1-3H3,(H,29,33)

InChI Key

LRQRIBJNMJKXID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05002880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

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

5.682

Distribution Coefficient, logD

5.682

Water Solubility, LogSw

-5.62

Polar Surface Area

64.579

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with G878-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G878-0050?
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What is the minimum amount of G878-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G878-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G878-0050
  • 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 G878-0050 available by request