P970-2648 Screening compound: 1-cyclohexyl-3-[(oxan-4-yl)methyl]urea

P970-2648 Screening compound: 1-cyclohexyl-3-[(oxan-4-yl)methyl]urea
P970-2648 Screening compound: 1-cyclohexyl-3-[(oxan-4-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound P970-2648
1-cyclohexyl-3-[(oxan-4-yl)methyl]urea

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

P970-2648

Molecular Formula

C13H24N2O2 (C13 H24 N2 O2)

Compound Name

1-cyclohexyl-3-[(oxan-4-yl)methyl]urea

IUPAC name

1-cyclohexyl-3-[(oxan-4-yl)methyl]urea

SMILES

O=C(NCC1CCOCC1)NC1CCCCC1

InChI

InChI=1S/C13H24N2O2/c16-13(15-12-4-2-1-3-5-12)14-10-11-6-8-17-9-7-11/h11-12H,1-10H2,(H2,14,15,16)

InChI Key

FJHOZQIIDLKSQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30462280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

240.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.160

Distribution Coefficient, logD

2.160

Water Solubility, LogSw

-2.16

Polar Surface Area

43.012

Acid Dissociation Constant (pKa)

16.34

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

92.31

P970-2648 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with P970-2648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P970-2648?
Check Price and Availability of P970-2648, 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 P970-2648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P970-2648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P970-2648
  • 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 P970-2648 available by request