H025-0586C Screening compound: N-[3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]-N-(3-pyridylmethyl)amine

H025-0586C Screening compound: N-[3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]-N-(3-pyridylmethyl)amine
H025-0586C Screening compound: N-[3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]-N-(3-pyridylmethyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0586C
N-[3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]-N-(3-pyridylmethyl)amine

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

H025-0586C

Molecular Formula

C19H14N6O2S2 (C19 H14 N6 O2 S2)

Compound Name

N-[3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]-N-(3-pyridylmethyl)amine

IUPAC name

10-(benzenesulfonyl)-N-[(pyridin-3-yl)methyl]-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaen-7-amine

SMILES

O=S(c(nnn1c2c3scc2)c1nc3NCc1cnccc1)(c1ccccc1)=O

InChI

InChI=1S/C19H14N6O2S2/c26-29(27,14-6-2-1-3-7-14)19-18-22-17(21-12-13-5-4-9-20-11-13)16-15(8-10-28-16)25(18)24-23-19/h1-11H,12H2,(H,21,22)

InChI Key

JOSRKQJPJLVRAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214638

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

422.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.573

Distribution Coefficient, logD

2.543

Water Solubility, LogSw

-2.56

Polar Surface Area

83.153

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

H025-0586C in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with H025-0586C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0586C?
Check Price and Availability of H025-0586C, 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 H025-0586C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0586C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0586C
  • 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 H025-0586C available by request