4715-0087 Screening compound: 1-(4-methylphenyl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}ethan-1-one

4715-0087 Screening compound: 1-(4-methylphenyl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}ethan-1-one
4715-0087 Screening compound: 1-(4-methylphenyl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4715-0087
1-(4-methylphenyl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}ethan-1-one

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

4715-0087

Molecular Formula

C18H14N4OS (C18 H14 N4 OS)

Compound Name

1-(4-methylphenyl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}ethan-1-one

IUPAC name

1-(4-methylphenyl)-2-{5H-[124]triazino[56-b]indol-3-ylsulfanyl}ethan-1-one

SMILES

Cc(cc1)ccc1C(CSc1nnc(c(cccc2)c2[nH]2)c2n1)=O

InChI

InChI=1S/C18H14N4OS/c1-11-6-8-12(9-7-11)15(23)10-24-18-20-17-16(21-22-18)13-4-2-3-5-14(13)19-17/h2-9H,10H2,1H3,(H,19,20,22)

InChI Key

QECOTHWWYCWPSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01595230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.250

Distribution Coefficient, logD

3.250

Water Solubility, LogSw

-3.44

Polar Surface Area

54.781

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4715-0087 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4715-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4715-0087?
Check Price and Availability of 4715-0087, 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 4715-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4715-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4715-0087
  • 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 4715-0087 available by request