3209-0953 Screening compound: 1-[5-(4-bromophenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidine

3209-0953 Screening compound: 1-[5-(4-bromophenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidine
3209-0953 Screening compound: 1-[5-(4-bromophenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0953
1-[5-(4-bromophenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidine

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

3209-0953

Molecular Formula

C18H18BrF3N4O (C18 H18 BrF3 N4 O)

Compound Name

1-[5-(4-bromophenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidine

IUPAC name

1-[5-(4-bromophenyl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carbonyl]pyrrolidine

SMILES

O=C(c1nn(C(CC(c(cc2)ccc2Br)N2)C(F)(F)F)c2c1)N1CCCC1

InChI

InChI=1S/C18H18BrF3N4O/c19-12-5-3-11(4-6-12)13-9-15(18(20,21)22)26-16(23-13)10-14(24-26)17(27)25-7-1-2-8-25/h3-6,10,13,15,23H,1-2,7-9H2

InChI Key

IHEGGJMSSCMLQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01923577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.27

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

4.366

Distribution Coefficient, logD

4.366

Water Solubility, LogSw

-4.24

Polar Surface Area

44.781

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

-3.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

3209-0953 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3209-0953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0953?
Check Price and Availability of 3209-0953, 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 3209-0953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0953
  • 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 3209-0953 available by request