G878-0077 Screening compound: benzyl 2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

G878-0077 Screening compound: benzyl 2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
G878-0077 Screening compound: benzyl 2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G878-0077
benzyl 2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

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

G878-0077

Molecular Formula

C26H22N4O3S (C26 H22 N4 O3 S)

Compound Name

benzyl 2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

IUPAC name

benzyl 2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}acetate

SMILES

COc1cccc(-n2c(SCC(OCc3ccccc3)=O)nnc2-c2c[nH]c3c2cccc3)c1

InChI

InChI=1S/C26H22N4O3S/c1-32-20-11-7-10-19(14-20)30-25(22-15-27-23-13-6-5-12-21(22)23)28-29-26(30)34-17-24(31)33-16-18-8-3-2-4-9-18/h2-15,27H,16-17H2,1H3

InChI Key

XXHXBUCBCSAMLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05002931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.532

Distribution Coefficient, logD

5.532

Water Solubility, LogSw

-5.72

Polar Surface Area

62.661

Acid Dissociation Constant (pKa)

18.82

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with G878-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G878-0077?
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What is the minimum amount of G878-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G878-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G878-0077
  • 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 G878-0077 available by request