D414-0058 Screening compound: 2-(morpholin-4-yl)ethyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

D414-0058 Screening compound: 2-(morpholin-4-yl)ethyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
D414-0058 Screening compound: 2-(morpholin-4-yl)ethyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D414-0058
2-(morpholin-4-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

D414-0058

Molecular Formula

C20H18F4N4O3 (C20 H18 F4 N4 O3)

Compound Name

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

IUPAC name

2-(morpholin-4-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)OCCN1CCOCC1

InChI

InChI=1S/C20H18F4N4O3/c21-14-3-1-13(2-4-14)16-11-17(20(22,23)24)28-18(26-16)15(12-25-28)19(29)31-10-7-27-5-8-30-9-6-27/h1-4,11-12H,5-10H2

InChI Key

JYXPBAVKQBEODO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10702645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.610

Distribution Coefficient, logD

3.600

Water Solubility, LogSw

-3.60

Polar Surface Area

51.835

Acid Dissociation Constant (pKa)

29.12

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D414-0058 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D414-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D414-0058?
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What is the minimum amount of D414-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D414-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D414-0058
  • 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 D414-0058 available by request