S932-7218 Screening compound: 3-{4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-1-yl}-N-(3,4-dimethoxyphenyl)pyrrolidine-1-carboxamide

S932-7218 Screening compound: 3-{4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-1-yl}-N-(3,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
S932-7218 Screening compound: 3-{4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-1-yl}-N-(3,4-dimethoxyphenyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-7218
3-{4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-1-yl}-N-(3,4-dimethoxyphenyl)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

S932-7218

Molecular Formula

C20H27N5O4 (C20 H27 N5 O4)

Compound Name

3-{4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-1-yl}-N-(3,4-dimethoxyphenyl)pyrrolidine-1-carboxamide

IUPAC name

3-{4-[(cyclopropylmethoxy)methyl]-1H-123-triazol-1-yl}-N-(34-dimethoxyphenyl)pyrrolidine-1-carboxamide

SMILES

COc(ccc(NC(N(CC1)CC1n1nnc(COCC2CC2)c1)=O)c1)c1OC

InChI

InChI=1S/C20H27N5O4/c1-27-18-6-5-15(9-19(18)28-2)21-20(26)24-8-7-17(11-24)25-10-16(22-23-25)13-29-12-14-3-4-14/h5-6,9-10,14,17H,3-4,7-8,11-13H2,1-2H3,(H,21,26)/t17-/m1/s1

InChI Key

BRFDYVLNGXPFDS-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD31962016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.681

Distribution Coefficient, logD

1.681

Water Solubility, LogSw

-2.18

Polar Surface Area

76.455

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

S932-7218 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 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

Therapeutical areas:
  • Nervous system
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 S932-7218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-7218?
Check Price and Availability of S932-7218, 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 S932-7218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-7218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-7218
  • 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 S932-7218 available by request