F107-1149 Screening compound: methyl 2-({[1-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)propan-2-yl]carbamoyl}amino)benzoate

F107-1149 Screening compound: methyl 2-({[1-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)propan-2-yl]carbamoyl}amino)benzoate
F107-1149 Screening compound: methyl 2-({[1-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)propan-2-yl]carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F107-1149
methyl 2-({[1-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)propan-2-yl]carbamoyl}amino)benzoate

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

F107-1149

Molecular Formula

C25H23FN2O5 (C25 H23 FN2 O5)

Compound Name

methyl 2-({[1-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)propan-2-yl]carbamoyl}amino)benzoate

IUPAC name

methyl 2-({[1-(2H-13-benzodioxol-5-yl)-3-(4-fluorophenyl)propan-2-yl]carbamoyl}amino)benzoate

SMILES

COC(c(cccc1)c1NC(NC(Cc(cc1)ccc1F)Cc(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C25H23FN2O5/c1-31-24(29)20-4-2-3-5-21(20)28-25(30)27-19(12-16-6-9-18(26)10-7-16)13-17-8-11-22-23(14-17)33-15-32-22/h2-11,14,19H,12-13,15H2,1H3,(H2,27,28,30)/t19-/m0/s1

InChI Key

ITMBBXOIIQUVOF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14941267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.987

Distribution Coefficient, logD

4.983

Water Solubility, LogSw

-4.68

Polar Surface Area

71.092

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with F107-1149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F107-1149?
Check Price and Availability of F107-1149, 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 F107-1149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F107-1149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F107-1149
  • 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 F107-1149 available by request