F107-2002 Screening compound: 3-[1,3-bis(2H-1,3-benzodioxol-5-yl)propan-2-yl]-1-cyclohexylurea

F107-2002 Screening compound: 3-[1,3-bis(2H-1,3-benzodioxol-5-yl)propan-2-yl]-1-cyclohexylurea
F107-2002 Screening compound: 3-[1,3-bis(2H-1,3-benzodioxol-5-yl)propan-2-yl]-1-cyclohexylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound F107-2002
3-[1,3-bis(2H-1,3-benzodioxol-5-yl)propan-2-yl]-1-cyclohexylurea

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

F107-2002

Molecular Formula

C24H28N2O5 (C24 H28 N2 O5)

Compound Name

3-[1,3-bis(2H-1,3-benzodioxol-5-yl)propan-2-yl]-1-cyclohexylurea

IUPAC name

3-[13-bis(2H-13-benzodioxol-5-yl)propan-2-yl]-1-cyclohexylurea

SMILES

O=C(NC(Cc(cc1)cc2c1OCO2)Cc(cc1)cc2c1OCO2)NC1CCCCC1

InChI

InChI=1S/C24H28N2O5/c27-24(25-18-4-2-1-3-5-18)26-19(10-16-6-8-20-22(12-16)30-14-28-20)11-17-7-9-21-23(13-17)31-15-29-21/h6-9,12-13,18-19H,1-5,10-11,14-15H2,(H2,25,26,27)

InChI Key

VTIMOWGPFXZRML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14941373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.167

Distribution Coefficient, logD

5.167

Water Solubility, LogSw

-5.38

Polar Surface Area

68.779

Acid Dissociation Constant (pKa)

15.61

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

F107-2002 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F107-2002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F107-2002?
Check Price and Availability of F107-2002, 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 F107-2002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F107-2002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F107-2002
  • 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 F107-2002 available by request