P970-2677 Screening compound: 3-(3,5-difluorophenyl)-1-[(oxan-4-yl)methyl]urea

P970-2677 Screening compound: 3-(3,5-difluorophenyl)-1-[(oxan-4-yl)methyl]urea
P970-2677 Screening compound: 3-(3,5-difluorophenyl)-1-[(oxan-4-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound P970-2677
3-(3,5-difluorophenyl)-1-[(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

P970-2677

Molecular Formula

C13H16F2N2O2 (C13 H16 F2 N2 O2)

Compound Name

3-(3,5-difluorophenyl)-1-[(oxan-4-yl)methyl]urea

IUPAC name

n/a

SMILES

O=C(NCC1CCOCC1)Nc1cc(F)cc(F)c1

InChI

InChI=1S/C13H16F2N2O2/c14-10-5-11(15)7-12(6-10)17-13(18)16-8-9-1-3-19-4-2-9/h5-7,9H,1-4,8H2,(H2,16,17,18)

InChI Key

ZWYAWDBULPMCRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30462285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.28

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

2.781

Distribution Coefficient, logD

2.780

Water Solubility, LogSw

-3.05

Polar Surface Area

41.964

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

P970-2677 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Fragment Library (4274 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P970-2677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P970-2677?
Check Price and Availability of P970-2677, 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 P970-2677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P970-2677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P970-2677
  • 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 P970-2677 available by request