F108-1102 Screening compound: N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-2-oxo-2H-chromene-3-carboxamide

F108-1102 Screening compound: N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-2-oxo-2H-chromene-3-carboxamide
F108-1102 Screening compound: N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F108-1102
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-2-oxo-2H-chromene-3-carboxamide

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

F108-1102

Molecular Formula

C27H23NO6 (C27 H23 NO6)

Compound Name

N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-2-oxo-2H-chromene-3-carboxamide

IUPAC name

N-[1-(2H-13-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-2-oxo-2H-chromene-3-carboxamide

SMILES

COc1ccc(CC(Cc(cc2)cc3c2OCO3)NC(C2=Cc(cccc3)c3OC2=O)=O)cc1

InChI

InChI=1S/C27H23NO6/c1-31-21-9-6-17(7-10-21)12-20(13-18-8-11-24-25(14-18)33-16-32-24)28-26(29)22-15-19-4-2-3-5-23(19)34-27(22)30/h2-11,14-15,20H,12-13,16H2,1H3,(H,28,29)/t20-/m0/s1

InChI Key

IFCVUMULMUWSSW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14941407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.991

Distribution Coefficient, logD

4.991

Water Solubility, LogSw

-4.82

Polar Surface Area

69.870

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

F108-1102 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 F108-1102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F108-1102?
Check Price and Availability of F108-1102, 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 F108-1102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F108-1102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F108-1102
  • 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 F108-1102 available by request