A0005395 Screening compound: propan-2-yl 2-[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

A0005395 Screening compound: propan-2-yl 2-[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
A0005395 Screening compound: propan-2-yl 2-[5-(2H-1,3-benzodioxol-5-yl)-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 A0005395
propan-2-yl 2-[5-(2H-1,3-benzodioxol-5-yl)-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

A0005395

Molecular Formula

C27H23F3N4O5S (C27 H23 F3 N4 O5 S)

Compound Name

propan-2-yl 2-[5-(2H-1,3-benzodioxol-5-yl)-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-(2H-13-benzodioxol-5-yl)-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)cc5c4OCO5)nc3c2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C27H23F3N4O5S/c1-13(2)39-26(36)23-15-5-3-4-6-20(15)40-25(23)32-24(35)17-11-22-31-16(10-21(27(28,29)30)34(22)33-17)14-7-8-18-19(9-14)38-12-37-18/h7-11,13H,3-6,12H2,1-2H3,(H,32,35)

InChI Key

VLPFTXWGYFCAHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.437

Distribution Coefficient, logD

3.790

Water Solubility, LogSw

-5.74

Polar Surface Area

78.752

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

A0005395 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 A0005395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0005395?
Check Price and Availability of A0005395, 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 A0005395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0005395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0005395
  • 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 A0005395 available by request