7213-0120 Screening compound: 5-(3-methoxyphenyl)-N-propyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

7213-0120 Screening compound: 5-(3-methoxyphenyl)-N-propyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
7213-0120 Screening compound: 5-(3-methoxyphenyl)-N-propyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0120
5-(3-methoxyphenyl)-N-propyl-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

7213-0120

Molecular Formula

C18H21F3N4O2 (C18 H21 F3 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCNC(c1c(N[C@@H](C[C@@H]2C(F)(F)F)c3cc(OC)ccc3)n2nc1)=O

InChI

InChI=1S/C18H21F3N4O2/c1-3-7-22-17(26)13-10-23-25-15(18(19,20)21)9-14(24-16(13)25)11-5-4-6-12(8-11)27-2/h4-6,8,10,14-15,24H,3,7,9H2,1-2H3,(H,22,26)/t14-,15-/m1/s1

InChI Key

YUQSXMRGJLJKQN-HUUCEWRRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.489

Distribution Coefficient, logD

3.489

Water Solubility, LogSw

-3.69

Polar Surface Area

57.584

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

7213-0120 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Anti-infective Library (19449 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 7213-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0120?
Check Price and Availability of 7213-0120, 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 7213-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0120
  • 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 7213-0120 available by request