G878-0119 Screening compound: 2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

G878-0119 Screening compound: 2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
G878-0119 Screening compound: 2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G878-0119
2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)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

G878-0119

Molecular Formula

C22H19N7O2S2 (C22 H19 N7 O2 S2)

Compound Name

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

IUPAC name

2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}-N-(5-methyl-134-thiadiazol-2-yl)acetamide

SMILES

Cc1nnc(NC(CSc2nnc(-c3c[nH]c4c3cccc4)n2-c(cc2)ccc2OC)=O)s1

InChI

InChI=1S/C22H19N7O2S2/c1-13-25-27-21(33-13)24-19(30)12-32-22-28-26-20(17-11-23-18-6-4-3-5-16(17)18)29(22)14-7-9-15(31-2)10-8-14/h3-11,23H,12H2,1-2H3,(H,24,27,30)

InChI Key

OQVMOGOHRQYJDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05003001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.727

Distribution Coefficient, logD

3.687

Water Solubility, LogSw

-4.10

Polar Surface Area

88.628

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with G878-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G878-0119?
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What is the minimum amount of G878-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G878-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G878-0119
  • 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 G878-0119 available by request