8005-2590 Screening compound: N-[2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

8005-2590 Screening compound: N-[2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
8005-2590 Screening compound: N-[2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2590
N-[2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

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

8005-2590

Molecular Formula

C18H18F3N5O2S (C18 H18 F3 N5 O2 S)

Compound Name

N-[2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-[2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1)NCCN1CCOCC1

InChI

InChI=1S/C18H18F3N5O2S/c19-18(20,21)15-10-12(14-2-1-9-29-14)23-16-11-13(24-26(15)16)17(27)22-3-4-25-5-7-28-8-6-25/h1-2,9-11H,3-8H2,(H,22,27)

InChI Key

YLKXTBCFQMJPLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00288550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.469

Distribution Coefficient, logD

2.439

Water Solubility, LogSw

-2.88

Polar Surface Area

55.562

Acid Dissociation Constant (pKa)

13.47

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

8005-2590 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8005-2590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2590?
Check Price and Availability of 8005-2590, 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 8005-2590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2590
  • 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 8005-2590 available by request