F989-0838 Screening compound: ethyl 2-(2-{[1-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamido)benzoate

F989-0838 Screening compound: ethyl 2-(2-{[1-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamido)benzoate
F989-0838 Screening compound: ethyl 2-(2-{[1-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F989-0838
ethyl 2-(2-{[1-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamido)benzoate

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

F989-0838

Molecular Formula

C27H23N5O3S (C27 H23 N5 O3 S)

Compound Name

ethyl 2-(2-{[1-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 2-(2-{[1-(4-methylphenyl)-[124]triazolo[43-a]quinoxalin-4-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CSc1nc(cccc2)c2n2c1nnc2-c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C27H23N5O3S/c1-3-35-27(34)19-8-4-5-9-20(19)28-23(33)16-36-26-25-31-30-24(18-14-12-17(2)13-15-18)32(25)22-11-7-6-10-21(22)29-26/h4-15H,3,16H2,1-2H3,(H,28,33)

InChI Key

GUKJEPFVCDXMOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27208383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.553

Distribution Coefficient, logD

5.536

Water Solubility, LogSw

-5.38

Polar Surface Area

72.714

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with F989-0838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F989-0838?
Check Price and Availability of F989-0838, 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 F989-0838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F989-0838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F989-0838
  • 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 F989-0838 available by request