S893-0941 Screening compound: {2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-pyrrolidinyl}(tetrahydro-2H-pyran-4-yl)methanone

S893-0941 Screening compound: {2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-pyrrolidinyl}(tetrahydro-2H-pyran-4-yl)methanone
S893-0941 Screening compound: {2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-pyrrolidinyl}(tetrahydro-2H-pyran-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S893-0941
{2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-pyrrolidinyl}(tetrahydro-2H-pyran-4-yl)methanone

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

S893-0941

Molecular Formula

C19H29N3O4 (C19 H29 N3 O4)

Compound Name

{2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-pyrrolidinyl}(tetrahydro-2H-pyran-4-yl)methanone

IUPAC name

2-[1-(2-methoxyethyl)-1H4H6H7H-pyrano[43-c]pyrazol-3-yl]-1-(oxane-4-carbonyl)pyrrolidine

SMILES

COCCn1nc(C(CCC2)N2C(C2CCOCC2)=O)c2c1CCOC2

InChI

InChI=1S/C19H29N3O4/c1-24-12-8-22-16-6-11-26-13-15(16)18(20-22)17-3-2-7-21(17)19(23)14-4-9-25-10-5-14/h14,17H,2-13H2,1H3/t17-/m0/s1

InChI Key

RXEBJUNNSZOAPK-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.736

Distribution Coefficient, logD

0.736

Water Solubility, LogSw

-0.33

Polar Surface Area

56.156

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.95

S893-0941 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)

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 S893-0941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S893-0941?
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What is the minimum amount of S893-0941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S893-0941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S893-0941
  • 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 S893-0941 available by request