S893-0118 Screening compound: N-[(3-fluorophenyl)methyl]-2-{1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}pyrrolidine-1-carboxamide

S893-0118 Screening compound: N-[(3-fluorophenyl)methyl]-2-{1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}pyrrolidine-1-carboxamide
S893-0118 Screening compound: N-[(3-fluorophenyl)methyl]-2-{1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S893-0118
N-[(3-fluorophenyl)methyl]-2-{1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}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

S893-0118

Molecular Formula

C18H21FN4O2 (C18 H21 FN4 O2)

Compound Name

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

IUPAC name

N-[(3-fluorophenyl)methyl]-2-{1H4H6H7H-pyrano[43-c]pyrazol-3-yl}pyrrolidine-1-carboxamide

SMILES

O=C(NCc1cccc(F)c1)N(CCC1)C1c1n[nH]c2c1COCC2

InChI

InChI=1S/C18H21FN4O2/c19-13-4-1-3-12(9-13)10-20-18(24)23-7-2-5-16(23)17-14-11-25-8-6-15(14)21-22-17/h1,3-4,9,16H,2,5-8,10-11H2,(H,20,24)(H,21,22)/t16-/m0/s1

InChI Key

PRVPTOKJTXKGCH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31954148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.936

Distribution Coefficient, logD

1.936

Water Solubility, LogSw

-2.21

Polar Surface Area

60.178

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

S893-0118 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S893-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S893-0118?
Check Price and Availability of S893-0118, 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 S893-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S893-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S893-0118
  • 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 S893-0118 available by request