H025-0603C Screening compound: N-[1-(1-adamantyl)ethyl]-N-[3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]amine

H025-0603C Screening compound: N-[1-(1-adamantyl)ethyl]-N-[3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]amine
H025-0603C Screening compound: N-[1-(1-adamantyl)ethyl]-N-[3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0603C
N-[1-(1-adamantyl)ethyl]-N-[3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]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

H025-0603C

Molecular Formula

C25H27N5O2S2 (C25 H27 N5 O2 S2)

Compound Name

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

IUPAC name

N-[1-(adamantan-1-yl)ethyl]-10-(benzenesulfonyl)-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaen-7-amine

SMILES

CC(C1(CC(C2)C3)CC3CC2C1)Nc(c(scc1)c1n1nn2)nc1c2S(c1ccccc1)(=O)=O

InChI

InChI=1S/C25H27N5O2S2/c1-15(25-12-16-9-17(13-25)11-18(10-16)14-25)26-22-21-20(7-8-33-21)30-23(27-22)24(28-29-30)34(31,32)19-5-3-2-4-6-19/h2-8,15-18H,9-14H2,1H3,(H,26,27)/t15-,16?,17?,18?,25?/m0/s1

InChI Key

MNSFFRMNWXMIHG-SBNSQYLKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

493.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.569

Distribution Coefficient, logD

5.569

Water Solubility, LogSw

-5.66

Polar Surface Area

72.832

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

H025-0603C in Drug Discovery

Included in Screening Libraries

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

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with H025-0603C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0603C?
Check Price and Availability of H025-0603C, 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 H025-0603C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0603C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0603C
  • 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 H025-0603C available by request