F107-1984 Screening compound: 3-[1,3-bis(2H-1,3-benzodioxol-5-yl)propan-2-yl]-1-[(4-methylphenyl)methyl]urea

F107-1984 Screening compound: 3-[1,3-bis(2H-1,3-benzodioxol-5-yl)propan-2-yl]-1-[(4-methylphenyl)methyl]urea
F107-1984 Screening compound: 3-[1,3-bis(2H-1,3-benzodioxol-5-yl)propan-2-yl]-1-[(4-methylphenyl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F107-1984
3-[1,3-bis(2H-1,3-benzodioxol-5-yl)propan-2-yl]-1-[(4-methylphenyl)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

F107-1984

Molecular Formula

C26H26N2O5 (C26 H26 N2 O5)

Compound Name

3-[1,3-bis(2H-1,3-benzodioxol-5-yl)propan-2-yl]-1-[(4-methylphenyl)methyl]urea

IUPAC name

3-[13-bis(2H-13-benzodioxol-5-yl)propan-2-yl]-1-[(4-methylphenyl)methyl]urea

SMILES

Cc1ccc(CNC(NC(Cc(cc2)cc3c2OCO3)Cc(cc2)cc3c2OCO3)=O)cc1

InChI

InChI=1S/C26H26N2O5/c1-17-2-4-18(5-3-17)14-27-26(29)28-21(10-19-6-8-22-24(12-19)32-15-30-22)11-20-7-9-23-25(13-20)33-16-31-23/h2-9,12-13,21H,10-11,14-16H2,1H3,(H2,27,28,29)

InChI Key

XEGQZSSYXHLYGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14941358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.987

Distribution Coefficient, logD

4.987

Water Solubility, LogSw

-4.74

Polar Surface Area

69.054

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

F107-1984 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F107-1984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F107-1984?
Check Price and Availability of F107-1984, 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 F107-1984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F107-1984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F107-1984
  • 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 F107-1984 available by request