D103-0729 Screening compound: 2-(4-benzylpiperidine-1-carbonyl)-7,8-dimethyl-4H-chromen-4-one

D103-0729 Screening compound: 2-(4-benzylpiperidine-1-carbonyl)-7,8-dimethyl-4H-chromen-4-one
D103-0729 Screening compound: 2-(4-benzylpiperidine-1-carbonyl)-7,8-dimethyl-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-0729
2-(4-benzylpiperidine-1-carbonyl)-7,8-dimethyl-4H-chromen-4-one

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

D103-0729

Molecular Formula

C24H25NO3 (C24 H25 NO3)

Compound Name

2-(4-benzylpiperidine-1-carbonyl)-7,8-dimethyl-4H-chromen-4-one

IUPAC name

2-(4-benzylpiperidine-1-carbonyl)-78-dimethyl-4H-chromen-4-one

SMILES

Cc(cc1)c(C)c(OC(C(N2CCC(Cc3ccccc3)CC2)=O)=C2)c1C2=O

InChI

InChI=1S/C24H25NO3/c1-16-8-9-20-21(26)15-22(28-23(20)17(16)2)24(27)25-12-10-19(11-13-25)14-18-6-4-3-5-7-18/h3-9,15,19H,10-14H2,1-2H3

InChI Key

VBXDVQIVYDFKAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12917215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.394

Distribution Coefficient, logD

5.394

Water Solubility, LogSw

-5.57

Polar Surface Area

38.118

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D103-0729 in Drug Discovery

Included in Screening Libraries

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

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D103-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-0729?
Check Price and Availability of D103-0729, 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 D103-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-0729
  • 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 D103-0729 available by request