G878-0228 Screening compound: methyl 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate

G878-0228 Screening compound: methyl 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
G878-0228 Screening compound: methyl 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G878-0228
methyl 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-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

G878-0228

Molecular Formula

C21H19FN4O2S (C21 H19 FN4 O2 S)

Compound Name

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

IUPAC name

n/a

SMILES

CCC(C(OC)=O)Sc1nnc(-c2c[nH]c3c2cccc3)n1-c(cc1)ccc1F

InChI

InChI=1S/C21H19FN4O2S/c1-3-18(20(27)28-2)29-21-25-24-19(26(21)14-10-8-13(22)9-11-14)16-12-23-17-7-5-4-6-15(16)17/h4-12,18,23H,3H2,1-2H3/t18-/m0/s1

InChI Key

PQRHSZWQVCTIMF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD05003247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.799

Distribution Coefficient, logD

4.799

Water Solubility, LogSw

-4.79

Polar Surface Area

56.029

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with G878-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G878-0228?
Check Price and Availability of G878-0228, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G878-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G878-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G878-0228
  • 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 G878-0228 available by request