S932-3540 Screening compound: 4-({1-[1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-1,2,3-triazol-4-yl}methoxy)pyridine

S932-3540 Screening compound: 4-({1-[1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-1,2,3-triazol-4-yl}methoxy)pyridine
S932-3540 Screening compound: 4-({1-[1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-1,2,3-triazol-4-yl}methoxy)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-3540
4-({1-[1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-1,2,3-triazol-4-yl}methoxy)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

S932-3540

Molecular Formula

C18H21N7O2 (C18 H21 N7 O2)

Compound Name

4-({1-[1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-1,2,3-triazol-4-yl}methoxy)pyridine

IUPAC name

4-({1-[1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-123-triazol-4-yl}methoxy)pyridine

SMILES

CCn(cc1)nc1C(N(CC1)CC1n1nnc(COc2ccncc2)c1)=O

InChI

InChI=1S/C18H21N7O2/c1-2-24-10-6-17(21-24)18(26)23-9-5-15(12-23)25-11-14(20-22-25)13-27-16-3-7-19-8-4-16/h3-4,6-8,10-11,15H,2,5,9,12-13H2,1H3/t15-/m1/s1

InChI Key

FANSJKCNMLRTTC-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD31961974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.087

Distribution Coefficient, logD

-0.089

Water Solubility, LogSw

-0.56

Polar Surface Area

74.728

Acid Dissociation Constant (pKa)

24.90

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

S932-3540 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S932-3540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-3540?
Check Price and Availability of S932-3540, 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 S932-3540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-3540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-3540
  • 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 S932-3540 available by request