8018-0778 Screening compound: 4-[({5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2-(furan-2-yl)-1,3-thiazole

8018-0778 Screening compound: 4-[({5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2-(furan-2-yl)-1,3-thiazole
8018-0778 Screening compound: 4-[({5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2-(furan-2-yl)-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0778
4-[({5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2-(furan-2-yl)-1,3-thiazole

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

8018-0778

Molecular Formula

C24H17N5OS2 (C24 H17 N5 OS2)

Compound Name

4-[({5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2-(furan-2-yl)-1,3-thiazole

IUPAC name

4-[({5-benzyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)methyl]-2-(furan-2-yl)-13-thiazole

SMILES

C(c1csc(-c2ccco2)n1)Sc1nnc(c(cccc2)c2n2Cc3ccccc3)c2n1

InChI

InChI=1S/C24H17N5OS2/c1-2-7-16(8-3-1)13-29-19-10-5-4-9-18(19)21-22(29)26-24(28-27-21)32-15-17-14-31-23(25-17)20-11-6-12-30-20/h1-12,14H,13,15H2

InChI Key

MMIZKIJDFJMFMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.866

Distribution Coefficient, logD

5.866

Water Solubility, LogSw

-6.22

Polar Surface Area

51.514

Acid Dissociation Constant (pKa)

23.15

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

8018-0778 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8018-0778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0778?
Check Price and Availability of 8018-0778, 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 8018-0778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0778
  • 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 8018-0778 available by request