7213-0123 Screening compound: 5-(3-methoxyphenyl)-N-(pyridin-3-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

7213-0123 Screening compound: 5-(3-methoxyphenyl)-N-(pyridin-3-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
7213-0123 Screening compound: 5-(3-methoxyphenyl)-N-(pyridin-3-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0123
5-(3-methoxyphenyl)-N-(pyridin-3-yl)-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

7213-0123

Molecular Formula

C20H18F3N5O2 (C20 H18 F3 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc([C@H](C[C@H](C(F)(F)F)n2nc3)Nc2c3C(Nc2cnccc2)=O)c1

InChI

InChI=1S/C20H18F3N5O2/c1-30-14-6-2-4-12(8-14)16-9-17(20(21,22)23)28-18(27-16)15(11-25-28)19(29)26-13-5-3-7-24-10-13/h2-8,10-11,16-17,27H,9H2,1H3,(H,26,29)/t16-,17-/m1/s1

InChI Key

DSYAQDWOJUXISK-IAGOWNOFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.223

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-3.32

Polar Surface Area

65.667

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

7213-0123 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 7213-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0123?
Check Price and Availability of 7213-0123, 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 7213-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0123
  • 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 7213-0123 available by request