F107-1216 Screening compound: 1-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)propan-2-yl]-3-methylurea

F107-1216 Screening compound: 1-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)propan-2-yl]-3-methylurea
F107-1216 Screening compound: 1-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)propan-2-yl]-3-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound F107-1216
1-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)propan-2-yl]-3-methylurea

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

F107-1216

Molecular Formula

C18H19FN2O3 (C18 H19 FN2 O3)

Compound Name

1-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)propan-2-yl]-3-methylurea

IUPAC name

1-[1-(2H-13-benzodioxol-5-yl)-3-(4-fluorophenyl)propan-2-yl]-3-methylurea

SMILES

CNC(NC(Cc(cc1)ccc1F)Cc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C18H19FN2O3/c1-20-18(22)21-15(8-12-2-5-14(19)6-3-12)9-13-4-7-16-17(10-13)24-11-23-16/h2-7,10,15H,8-9,11H2,1H3,(H2,20,21,22)/t15-/m0/s1

InChI Key

BXCWGVSASNMFQE-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14941290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.324

Distribution Coefficient, logD

3.324

Water Solubility, LogSw

-3.42

Polar Surface Area

52.360

Acid Dissociation Constant (pKa)

14.72

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

F107-1216 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F107-1216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F107-1216?
Check Price and Availability of F107-1216, 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 F107-1216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F107-1216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F107-1216
  • 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 F107-1216 available by request