A0013244 Screening compound: propan-2-yl 2-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

A0013244 Screening compound: propan-2-yl 2-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
A0013244 Screening compound: propan-2-yl 2-[5-(4-methylphenyl)-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 A0013244
propan-2-yl 2-[5-(4-methylphenyl)-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

A0013244

Molecular Formula

C27H25F3N4O3S (C27 H25 F3 N4 O3 S)

Compound Name

propan-2-yl 2-[5-(4-methylphenyl)-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-(4-methylphenyl)-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-c2ccc(C)cc2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C27H25F3N4O3S/c1-14(2)37-26(36)22-17-6-4-5-7-20(17)38-25(22)33-24(35)18-13-31-34-21(27(28,29)30)12-19(32-23(18)34)16-10-8-15(3)9-11-16/h8-14H,4-7H2,1-3H3,(H,33,35)

InChI Key

FUCKSTJYPOMDGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.927

Distribution Coefficient, logD

3.621

Water Solubility, LogSw

-5.62

Polar Surface Area

62.407

Acid Dissociation Constant (pKa)

4.09

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with A0013244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0013244?
Check Price and Availability of A0013244, 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 A0013244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0013244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0013244
  • 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 A0013244 available by request