3209-1121 Screening compound: 1-benzoyl-4-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine

3209-1121 Screening compound: 1-benzoyl-4-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine
3209-1121 Screening compound: 1-benzoyl-4-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-1121
1-benzoyl-4-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine

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

3209-1121

Molecular Formula

C23H21ClF3N5O3 (C23 H21 ClF3 N5 O3)

Compound Name

1-benzoyl-4-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine

IUPAC name

1-benzoyl-4-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carbonyl]piperazine

SMILES

O=C(c1nn(C(CC(c2ccco2)N2)C(F)(F)F)c2c1Cl)N(CC1)CCN1C(c1ccccc1)=O

InChI

InChI=1S/C23H21ClF3N5O3/c24-18-19(22(34)31-10-8-30(9-11-31)21(33)14-5-2-1-3-6-14)29-32-17(23(25,26)27)13-15(28-20(18)32)16-7-4-12-35-16/h1-7,12,15,17,28H,8-11,13H2

InChI Key

MNMSZMYBZFYBSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01924124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.034

Distribution Coefficient, logD

3.034

Water Solubility, LogSw

-3.92

Polar Surface Area

67.743

Acid Dissociation Constant (pKa)

15.99

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

3209-1121 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3209-1121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-1121?
Check Price and Availability of 3209-1121, 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 3209-1121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-1121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-1121
  • 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 3209-1121 available by request