D414-0052 Screening compound: 2-(pyridin-2-yl)ethyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

D414-0052 Screening compound: 2-(pyridin-2-yl)ethyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
D414-0052 Screening compound: 2-(pyridin-2-yl)ethyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D414-0052
2-(pyridin-2-yl)ethyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

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

D414-0052

Molecular Formula

C21H14F4N4O2 (C21 H14 F4 N4 O2)

Compound Name

2-(pyridin-2-yl)ethyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

IUPAC name

2-(pyridin-2-yl)ethyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-carboxylate

SMILES

O=C(c(cnn1c(C(F)(F)F)c2)c1nc2-c(cc1)ccc1F)OCCc1ncccc1

InChI

InChI=1S/C21H14F4N4O2/c22-14-6-4-13(5-7-14)17-11-18(21(23,24)25)29-19(28-17)16(12-27-29)20(30)31-10-8-15-3-1-2-9-26-15/h1-7,9,11-12H,8,10H2

InChI Key

OEWNAOYBCDUUHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10702462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.730

Distribution Coefficient, logD

4.730

Water Solubility, LogSw

-4.79

Polar Surface Area

49.487

Acid Dissociation Constant (pKa)

27.53

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D414-0052 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D414-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D414-0052?
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What is the minimum amount of D414-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D414-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D414-0052
  • 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 D414-0052 available by request