S932-2551 Screening compound: 4-[(cyclopropylmethoxy)methyl]-1-(pyrrolidin-3-yl)-1H-1,2,3-triazole

S932-2551 Screening compound: 4-[(cyclopropylmethoxy)methyl]-1-(pyrrolidin-3-yl)-1H-1,2,3-triazole
S932-2551 Screening compound: 4-[(cyclopropylmethoxy)methyl]-1-(pyrrolidin-3-yl)-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-2551
4-[(cyclopropylmethoxy)methyl]-1-(pyrrolidin-3-yl)-1H-1,2,3-triazole

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

S932-2551

Molecular Formula

C11H18N4O (C11 H18 N4 O)

Compound Name

4-[(cyclopropylmethoxy)methyl]-1-(pyrrolidin-3-yl)-1H-1,2,3-triazole

IUPAC name

4-[(cyclopropylmethoxy)methyl]-1-(pyrrolidin-3-yl)-1H-123-triazole

SMILES

C(C1CC1)OCc1cn(C2CNCC2)nn1

InChI

InChI=1S/C11H18N4O/c1-2-9(1)7-16-8-10-6-15(14-13-10)11-3-4-12-5-11/h6,9,11-12H,1-5,7-8H2/t11-/m0/s1

InChI Key

UYUCQDPOFYXIHF-NSHDSACASA-N

MDL Number (MFCD)

MFCD32200536

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

222.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.350

Distribution Coefficient, logD

-2.173

Water Solubility, LogSw

-0.84

Polar Surface Area

47.876

Acid Dissociation Constant (pKa)

24.60

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

81.82

S932-2551 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S932-2551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-2551?
Check Price and Availability of S932-2551, 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 S932-2551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-2551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-2551
  • 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 S932-2551 available by request