S021-0060 Screening compound: 6-[4-(trifluoromethoxy)benzoyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one

S021-0060 Screening compound: 6-[4-(trifluoromethoxy)benzoyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
S021-0060 Screening compound: 6-[4-(trifluoromethoxy)benzoyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S021-0060
6-[4-(trifluoromethoxy)benzoyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one

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

S021-0060

Molecular Formula

C17H13F3N4O3 (C17 H13 F3 N4 O3)

Compound Name

6-[4-(trifluoromethoxy)benzoyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one

IUPAC name

12-[4-(trifluoromethoxy)benzoyl]-26712-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-8-one

SMILES

O=C(c(cc1)ccc1OC(F)(F)F)N(CC1)CC(N=C2N3NC=C2)=C1C3=O

InChI

InChI=1S/C17H13F3N4O3/c18-17(19,20)27-11-3-1-10(2-4-11)15(25)23-8-6-12-13(9-23)22-14-5-7-21-24(14)16(12)26/h1-5,7,21H,6,8-9H2

InChI Key

HFIONVWVHKMMOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.177

Distribution Coefficient, logD

1.177

Water Solubility, LogSw

-2.15

Polar Surface Area

60.952

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

S021-0060 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S021-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-0060?
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What is the minimum amount of S021-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-0060
  • 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 S021-0060 available by request