S893-1212 Screening compound: 2-{1-propyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

S893-1212 Screening compound: 2-{1-propyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
S893-1212 Screening compound: 2-{1-propyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S893-1212
2-{1-propyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

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

S893-1212

Molecular Formula

C21H25F3N4O2 (C21 H25 F3 N4 O2)

Compound Name

2-{1-propyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

IUPAC name

2-{1-propyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

SMILES

CCCn1nc(C(CCC2)N2C(Nc2cccc(C(F)(F)F)c2)=O)c2c1CCOC2

InChI

InChI=1S/C21H25F3N4O2/c1-2-9-28-17-8-11-30-13-16(17)19(26-28)18-7-4-10-27(18)20(29)25-15-6-3-5-14(12-15)21(22,23)24/h3,5-6,12,18H,2,4,7-11,13H2,1H3,(H,25,29)/t18-/m0/s1

InChI Key

KIXQKYKZMUONFK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31957421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.814

Distribution Coefficient, logD

3.814

Water Solubility, LogSw

-4.01

Polar Surface Area

48.533

Acid Dissociation Constant (pKa)

12.11

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

S893-1212 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S893-1212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S893-1212?
Check Price and Availability of S893-1212, 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 S893-1212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S893-1212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S893-1212
  • 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 S893-1212 available by request