8018-0704 Screening compound: 2-(adamantan-1-yl)-4-[({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-1,3-thiazole

8018-0704 Screening compound: 2-(adamantan-1-yl)-4-[({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-1,3-thiazole
8018-0704 Screening compound: 2-(adamantan-1-yl)-4-[({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0704
2-(adamantan-1-yl)-4-[({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-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

8018-0704

Molecular Formula

C24H25N5S2 (C24 H25 N5 S2)

Compound Name

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

IUPAC name

2-(adamantan-1-yl)-4-[({5-methyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)methyl]-13-thiazole

SMILES

Cn1c2nc(SCc3csc(C4(CC(C5)C6)CC6CC5C4)n3)nnc2c2c1cccc2

InChI

InChI=1S/C24H25N5S2/c1-29-19-5-3-2-4-18(19)20-21(29)26-23(28-27-20)31-13-17-12-30-22(25-17)24-9-14-6-15(10-24)8-16(7-14)11-24/h2-5,12,14-16H,6-11,13H2,1H3

InChI Key

VSOWEBHAKNYTCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.471

Distribution Coefficient, logD

6.469

Water Solubility, LogSw

-6.24

Polar Surface Area

44.051

Acid Dissociation Constant (pKa)

24.61

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8018-0704 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8018-0704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0704?
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What is the minimum amount of 8018-0704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0704
  • 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 8018-0704 available by request