D146-0118 Screening compound: 3-{3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-[2-(2-fluorophenyl)ethyl]propanamide

D146-0118 Screening compound: 3-{3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-[2-(2-fluorophenyl)ethyl]propanamide
D146-0118 Screening compound: 3-{3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-[2-(2-fluorophenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D146-0118
3-{3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-[2-(2-fluorophenyl)ethyl]propanamide

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

D146-0118

Molecular Formula

C28H30FNO4 (C28 H30 FNO4)

Compound Name

3-{3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-[2-(2-fluorophenyl)ethyl]propanamide

IUPAC name

3-{3-tert-butyl-59-dimethyl-7-oxo-7H-furo[32-g]chromen-6-yl}-N-[2-(2-fluorophenyl)ethyl]propanamide

SMILES

CC(C)(C)c(c1c2)coc1c(C)c(O1)c2C(C)=C(CCC(NCCc(cccc2)c2F)=O)C1=O

InChI

InChI=1S/C28H30FNO4/c1-16-19(10-11-24(31)30-13-12-18-8-6-7-9-23(18)29)27(32)34-26-17(2)25-21(14-20(16)26)22(15-33-25)28(3,4)5/h6-9,14-15H,10-13H2,1-5H3,(H,30,31)

InChI Key

UVHRHMIZMKJZMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06439856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.488

Distribution Coefficient, logD

5.488

Water Solubility, LogSw

-5.60

Polar Surface Area

54.678

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

D146-0118 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D146-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D146-0118?
Check Price and Availability of D146-0118, 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 D146-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D146-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D146-0118
  • 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 D146-0118 available by request