8015-6553 Screening compound: 3-{1-[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-2-yl}pyridine

8015-6553 Screening compound: 3-{1-[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-2-yl}pyridine
8015-6553 Screening compound: 3-{1-[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-2-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6553
3-{1-[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-2-yl}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

8015-6553

Molecular Formula

C25H20F3N5O3 (C25 H20 F3 N5 O3)

Compound Name

3-{1-[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-2-yl}pyridine

IUPAC name

3-{1-[5-(2H-13-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carbonyl]piperidin-2-yl}pyridine

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c(cc3)cc4c3OCO4)nc2c1)N(CCCC1)C1c1cnccc1

InChI

InChI=1S/C25H20F3N5O3/c26-25(27,28)22-11-17(15-6-7-20-21(10-15)36-14-35-20)30-23-12-18(31-33(22)23)24(34)32-9-2-1-5-19(32)16-4-3-8-29-13-16/h3-4,6-8,10-13,19H,1-2,5,9,14H2/t19-/m0/s1

InChI Key

QMTNFBWSRFULTG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD05257420

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

495.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.215

Distribution Coefficient, logD

4.213

Water Solubility, LogSw

-4.06

Polar Surface Area

61.102

Acid Dissociation Constant (pKa)

21.60

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

8015-6553 in Drug Discovery

Included in Screening Libraries

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-6553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6553?
Check Price and Availability of 8015-6553, 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 8015-6553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6553
  • 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 8015-6553 available by request