7590-1107 Screening compound: 3-methyl-1-phenyl-6-(thiophen-2-yl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

7590-1107 Screening compound: 3-methyl-1-phenyl-6-(thiophen-2-yl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
7590-1107 Screening compound: 3-methyl-1-phenyl-6-(thiophen-2-yl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7590-1107
3-methyl-1-phenyl-6-(thiophen-2-yl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

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

7590-1107

Molecular Formula

C18H12F3N3S (C18 H12 F3 N3 S)

Compound Name

3-methyl-1-phenyl-6-(thiophen-2-yl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

IUPAC name

3-methyl-1-phenyl-6-(thiophen-2-yl)-4-(trifluoromethyl)-1H-pyrazolo[34-b]pyridine

SMILES

Cc(c(c(C(F)(F)F)c1)c2nc1-c1cccs1)nn2-c1ccccc1

InChI

InChI=1S/C18H12F3N3S/c1-11-16-13(18(19,20)21)10-14(15-8-5-9-25-15)22-17(16)24(23-11)12-6-3-2-4-7-12/h2-10H,1H3

InChI Key

SIZIWPMGSSLHQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03711150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.293

Distribution Coefficient, logD

5.293

Water Solubility, LogSw

-5.81

Polar Surface Area

24.381

Acid Dissociation Constant (pKa)

30.73

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

7590-1107 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7590-1107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7590-1107?
Check Price and Availability of 7590-1107, 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 7590-1107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7590-1107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7590-1107
  • 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 7590-1107 available by request