A0013242 Screening compound: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

A0013242 Screening compound: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
A0013242 Screening compound: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0013242
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)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

A0013242

Molecular Formula

C28H26F3N5OS (C28 H26 F3 N5 OS)

Compound Name

N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

N-(6-tert-butyl-3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C#N)c(NC(c(cnn1c(C(F)(F)F)c3)c1nc3-c1ccc(C)cc1)=O)s2

InChI

InChI=1S/C28H26F3N5OS/c1-15-5-7-16(8-6-15)21-12-23(28(29,30)31)36-24(34-21)20(14-33-36)25(37)35-26-19(13-32)18-10-9-17(27(2,3)4)11-22(18)38-26/h5-8,12,14,17H,9-11H2,1-4H3,(H,35,37)/t17-/m1/s1

InChI Key

RJWCQAZDDMPALS-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD02087945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.511

Distribution Coefficient, logD

5.234

Water Solubility, LogSw

-5.58

Polar Surface Area

59.030

Acid Dissociation Constant (pKa)

5.13

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with A0013242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0013242?
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What is the minimum amount of A0013242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0013242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0013242
  • 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 A0013242 available by request