A0005378 Screening compound: propan-2-yl 2-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

A0005378 Screening compound: propan-2-yl 2-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
A0005378 Screening compound: propan-2-yl 2-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0005378
propan-2-yl 2-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-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

A0005378

Molecular Formula

C28H27F3N4O5S (C28 H27 F3 N4 O5 S)

Compound Name

propan-2-yl 2-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

propan-2-yl 2-[5-(34-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-amido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CC(C)OC(c1c(NC(c2nn3c(C(F)(F)F)cc(-c(cc4)cc(OC)c4OC)nc3c2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C28H27F3N4O5S/c1-14(2)40-27(37)24-16-7-5-6-8-21(16)41-26(24)33-25(36)18-13-23-32-17(12-22(28(29,30)31)35(23)34-18)15-9-10-19(38-3)20(11-15)39-4/h9-14H,5-8H2,1-4H3,(H,33,36)

InChI Key

DFRDFBXWXZTQPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.139

Distribution Coefficient, logD

3.492

Water Solubility, LogSw

-5.54

Polar Surface Area

76.897

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

A0005378 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with A0005378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0005378?
Check Price and Availability of A0005378, 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 A0005378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0005378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0005378
  • 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 A0005378 available by request