S896-0674 Screening compound: N-(1-{2-cyclopentyl-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-yl}piperidin-4-yl)-2-methylpentanamide

S896-0674 Screening compound: N-(1-{2-cyclopentyl-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-yl}piperidin-4-yl)-2-methylpentanamide
S896-0674 Screening compound: N-(1-{2-cyclopentyl-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-yl}piperidin-4-yl)-2-methylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S896-0674
N-(1-{2-cyclopentyl-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-yl}piperidin-4-yl)-2-methylpentanamide

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

S896-0674

Molecular Formula

C24H38N4O2 (C24 H38 N4 O2)

Compound Name

N-(1-{2-cyclopentyl-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-yl}piperidin-4-yl)-2-methylpentanamide

IUPAC name

N-(1-{2-cyclopentyl-5H6H8H9H-oxepino[45-d]pyrimidin-4-yl}piperidin-4-yl)-2-methylpentanamide

SMILES

CCCC(C)C(NC(CC1)CCN1c1nc(C2CCCC2)nc2c1CCOCC2)=O

InChI

InChI=1S/C24H38N4O2/c1-3-6-17(2)24(29)25-19-9-13-28(14-10-19)23-20-11-15-30-16-12-21(20)26-22(27-23)18-7-4-5-8-18/h17-19H,3-16H2,1-2H3,(H,25,29)/t17-/m0/s1

InChI Key

DBYGQIJKRWBFTC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31956886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.789

Distribution Coefficient, logD

4.718

Water Solubility, LogSw

-4.40

Polar Surface Area

56.361

Acid Dissociation Constant (pKa)

15.61

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

79.17

S896-0674 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 S896-0674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S896-0674?
Check Price and Availability of S896-0674, 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 S896-0674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S896-0674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S896-0674
  • 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 S896-0674 available by request