3209-1425 Screening compound: 1,3,3-trimethyl-6-[5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]-6-azabicyclo[3.2.1]octane

3209-1425 Screening compound: 1,3,3-trimethyl-6-[5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]-6-azabicyclo[3.2.1]octane
3209-1425 Screening compound: 1,3,3-trimethyl-6-[5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]-6-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-1425
1,3,3-trimethyl-6-[5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]-6-azabicyclo[3.2.1]octane

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

3209-1425

Molecular Formula

C22H27F3N4OS (C22 H27 F3 N4 OS)

Compound Name

1,3,3-trimethyl-6-[5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]-6-azabicyclo[3.2.1]octane

IUPAC name

133-trimethyl-6-[5-(thiophen-2-yl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-3-carbonyl]-6-azabicyclo[3.2.1]octane

SMILES

CC(C1)(C2)CC(C)(C)CC1N2C(c1c(NC(CC2C(F)(F)F)c3cccs3)n2nc1)=O

InChI

InChI=1S/C22H27F3N4OS/c1-20(2)8-13-9-21(3,11-20)12-28(13)19(30)14-10-26-29-17(22(23,24)25)7-15(27-18(14)29)16-5-4-6-31-16/h4-6,10,13,15,17,27H,7-9,11-12H2,1-3H3

InChI Key

VZDTXPBSLUUCHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01922968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.426

Distribution Coefficient, logD

4.426

Water Solubility, LogSw

-4.23

Polar Surface Area

42.866

Acid Dissociation Constant (pKa)

16.53

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

63.60

3209-1425 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 3209-1425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-1425?
Check Price and Availability of 3209-1425, 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 3209-1425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-1425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-1425
  • 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 3209-1425 available by request