6466-0159 Screening compound: N-(4-bromophenyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

6466-0159 Screening compound: N-(4-bromophenyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
6466-0159 Screening compound: N-(4-bromophenyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0159
N-(4-bromophenyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

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

6466-0159

Molecular Formula

C21H18BrF3N4O2 (C21 H18 BrF3 N4 O2)

Compound Name

N-(4-bromophenyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

(5R7S)-N-(4-bromophenyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

COc1cccc([C@H](C[C@H](C(F)(F)F)n2nc3)Nc2c3C(Nc(cc2)ccc2Br)=O)c1

InChI

InChI=1S/C21H18BrF3N4O2/c1-31-15-4-2-3-12(9-15)17-10-18(21(23,24)25)29-19(28-17)16(11-26-29)20(30)27-14-7-5-13(22)6-8-14/h2-9,11,17-18,28H,10H2,1H3,(H,27,30)/t17-,18-/m1/s1

InChI Key

XQCNQWJKGXKCTR-QZTJIDSGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.134

Distribution Coefficient, logD

5.133

Water Solubility, LogSw

-4.89

Polar Surface Area

56.149

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.80

6466-0159 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6466-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0159?
Check Price and Availability of 6466-0159, 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 6466-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0159
  • 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 6466-0159 available by request