3209-1061 Screening compound: 1-[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-ethylpiperidine

3209-1061 Screening compound: 1-[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-ethylpiperidine
3209-1061 Screening compound: 1-[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-ethylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-1061
1-[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-ethylpiperidine

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

3209-1061

Molecular Formula

C21H23Cl2F3N4O (C21 H23 Cl2 F3 N4 O)

Compound Name

1-[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-ethylpiperidine

IUPAC name

1-[5-(34-dichlorophenyl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carbonyl]-2-ethylpiperidine

SMILES

CCC(CCCC1)N1C(c1nn(C(CC(c(cc2)cc(Cl)c2Cl)N2)C(F)(F)F)c2c1)=O

InChI

InChI=1S/C21H23Cl2F3N4O/c1-2-13-5-3-4-8-29(13)20(31)17-11-19-27-16(12-6-7-14(22)15(23)9-12)10-18(21(24,25)26)30(19)28-17/h6-7,9,11,13,16,18,27H,2-5,8,10H2,1H3

InChI Key

NFICASCWFLKFEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01923559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.905

Distribution Coefficient, logD

5.905

Water Solubility, LogSw

-6.22

Polar Surface Area

44.061

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

52.40

3209-1061 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3209-1061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-1061?
Check Price and Availability of 3209-1061, 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 3209-1061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-1061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-1061
  • 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 3209-1061 available by request