S893-0584 Screening compound: N-(tert-butyl)-2-[1-(cyclohexylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-pyrrolidinecarboxamide

S893-0584 Screening compound: N-(tert-butyl)-2-[1-(cyclohexylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-pyrrolidinecarboxamide
S893-0584 Screening compound: N-(tert-butyl)-2-[1-(cyclohexylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S893-0584
N-(tert-butyl)-2-[1-(cyclohexylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-pyrrolidinecarboxamide

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

S893-0584

Molecular Formula

C22H36N4O2 (C22 H36 N4 O2)

Compound Name

N-(tert-butyl)-2-[1-(cyclohexylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-pyrrolidinecarboxamide

IUPAC name

N-tert-butyl-2-[1-(cyclohexylmethyl)-1H4H6H7H-pyrano[43-c]pyrazol-3-yl]pyrrolidine-1-carboxamide

SMILES

CC(C)(C)NC(N(CCC1)C1c1nn(CC2CCCCC2)c2c1COCC2)=O

InChI

InChI=1S/C22H36N4O2/c1-22(2,3)23-21(27)25-12-7-10-19(25)20-17-15-28-13-11-18(17)26(24-20)14-16-8-5-4-6-9-16/h16,19H,4-15H2,1-3H3,(H,23,27)

InChI Key

BOMDTCDBDLOGPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31954684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.921

Distribution Coefficient, logD

3.921

Water Solubility, LogSw

-3.89

Polar Surface Area

48.893

Acid Dissociation Constant (pKa)

17.07

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

81.82

S893-0584 in Drug Discovery

Included in Screening Libraries

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 S893-0584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S893-0584?
Check Price and Availability of S893-0584, 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 S893-0584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S893-0584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S893-0584
  • 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 S893-0584 available by request