3209-0986 Screening compound: 1-benzoyl-4-[5-(4-bromophenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine

3209-0986 Screening compound: 1-benzoyl-4-[5-(4-bromophenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine
3209-0986 Screening compound: 1-benzoyl-4-[5-(4-bromophenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0986
1-benzoyl-4-[5-(4-bromophenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-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

3209-0986

Molecular Formula

C25H23BrF3N5O2 (C25 H23 BrF3 N5 O2)

Compound Name

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

IUPAC name

1-benzoyl-4-[5-(4-bromophenyl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-3-carbonyl]piperazine

SMILES

O=C(c1c(NC(CC2C(F)(F)F)c(cc3)ccc3Br)n2nc1)N(CC1)CCN1C(c1ccccc1)=O

InChI

InChI=1S/C25H23BrF3N5O2/c26-18-8-6-16(7-9-18)20-14-21(25(27,28)29)34-22(31-20)19(15-30-34)24(36)33-12-10-32(11-13-33)23(35)17-4-2-1-3-5-17/h1-9,15,20-21,31H,10-14H2

InChI Key

DQRPVUSBQPHQSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01924192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.110

Distribution Coefficient, logD

4.110

Water Solubility, LogSw

-4.18

Polar Surface Area

58.618

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.00

3209-0986 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 3209-0986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0986?
Check Price and Availability of 3209-0986, 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 3209-0986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0986
  • 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 3209-0986 available by request