A0013144 Screening compound: propan-2-yl 2-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

A0013144 Screening compound: propan-2-yl 2-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
A0013144 Screening compound: propan-2-yl 2-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0013144
propan-2-yl 2-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-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

A0013144

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-3-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-3-amido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CC(C)OC(c1c(NC(c(cnn2c(C(F)(F)F)c3)c2nc3-c(cc2)cc(OC)c2OC)=O)sc2c1CCCC2)=O

InChI

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

InChI Key

NLNKJGRECRBLTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648892

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

6.004

Distribution Coefficient, logD

2.699

Water Solubility, LogSw

-5.45

Polar Surface Area

77.667

Acid Dissociation Constant (pKa)

4.09

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with A0013144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0013144?
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What is the minimum amount of A0013144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0013144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0013144
  • 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 A0013144 available by request