7213-0101 Screening compound: 5-(3-methoxyphenyl)-N-[(pyridin-3-yl)methyl]-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

7213-0101 Screening compound: 5-(3-methoxyphenyl)-N-[(pyridin-3-yl)methyl]-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
7213-0101 Screening compound: 5-(3-methoxyphenyl)-N-[(pyridin-3-yl)methyl]-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0101
5-(3-methoxyphenyl)-N-[(pyridin-3-yl)methyl]-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

7213-0101

Molecular Formula

C21H20F3N5O2 (C21 H20 F3 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc([C@H](C[C@H](C(F)(F)F)n2nc3)Nc2c3C(NCc2cnccc2)=O)c1

InChI

InChI=1S/C21H20F3N5O2/c1-31-15-6-2-5-14(8-15)17-9-18(21(22,23)24)29-19(28-17)16(12-27-29)20(30)26-11-13-4-3-7-25-10-13/h2-8,10,12,17-18,28H,9,11H2,1H3,(H,26,30)/t17-,18-/m1/s1

InChI Key

ZXUNBFXBUDOGMM-QZTJIDSGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.036

Distribution Coefficient, logD

3.036

Water Solubility, LogSw

-3.15

Polar Surface Area

66.989

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

7213-0101 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 7213-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0101?
Check Price and Availability of 7213-0101, 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 7213-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0101
  • 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 7213-0101 available by request