3209-0157 Screening compound: methyl 2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

3209-0157 Screening compound: methyl 2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
3209-0157 Screening compound: methyl 2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0157
methyl 2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-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

3209-0157

Molecular Formula

C26H23F3N4O4S (C26 H23 F3 N4 O4 S)

Compound Name

methyl 2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

IUPAC name

methyl 2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-amido]-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

COC(c1c(NC(c2nn3c(C(F)(F)F)cc(-c(cc4)ccc4OC)nc3c2)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C26H23F3N4O4S/c1-36-15-10-8-14(9-11-15)17-12-20(26(27,28)29)33-21(30-17)13-18(32-33)23(34)31-24-22(25(35)37-2)16-6-4-3-5-7-19(16)38-24/h8-13H,3-7H2,1-2H3,(H,31,34)

InChI Key

RQLXQIRLIMDRGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01449911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.224

Distribution Coefficient, logD

3.577

Water Solubility, LogSw

-5.46

Polar Surface Area

70.252

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

3209-0157 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3209-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0157?
Check Price and Availability of 3209-0157, 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 3209-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0157
  • 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 3209-0157 available by request