G878-0123 Screening compound: methyl 2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate

G878-0123 Screening compound: methyl 2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
G878-0123 Screening compound: methyl 2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G878-0123
methyl 2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate

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

G878-0123

Molecular Formula

C22H22N4O3S (C22 H22 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(OC)=O)Sc1nnc(-c2c[nH]c3c2cccc3)n1-c(cc1)ccc1OC

InChI

InChI=1S/C22H22N4O3S/c1-4-19(21(27)29-3)30-22-25-24-20(17-13-23-18-8-6-5-7-16(17)18)26(22)14-9-11-15(28-2)12-10-14/h5-13,19,23H,4H2,1-3H3/t19-/m0/s1

InChI Key

GWLNNUGONSNJAS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD05003006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.752

Distribution Coefficient, logD

4.752

Water Solubility, LogSw

-4.74

Polar Surface Area

63.572

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

G878-0123 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G878-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G878-0123?
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What is the minimum amount of G878-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G878-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G878-0123
  • 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 G878-0123 available by request