V004-9072 Screening compound: N~1~-{4-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridyl]phenyl}-3-phenylpropanamide

V004-9072 Screening compound: N~1~-{4-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridyl]phenyl}-3-phenylpropanamide
V004-9072 Screening compound: N~1~-{4-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridyl]phenyl}-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9072
N~1~-{4-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridyl]phenyl}-3-phenylpropanamide

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

V004-9072

Molecular Formula

C28H24N2O3 (C28 H24 N2 O3)

Compound Name

N~1~-{4-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridyl]phenyl}-3-phenylpropanamide

IUPAC name

N-{4-[6-(23-dihydro-14-benzodioxin-6-yl)pyridin-2-yl]phenyl}-3-phenylpropanamide

SMILES

O=C(CCc1ccccc1)Nc(cc1)ccc1-c1nc(-c(cc2)cc3c2OCCO3)ccc1

InChI

InChI=1S/C28H24N2O3/c31-28(16-9-20-5-2-1-3-6-20)29-23-13-10-21(11-14-23)24-7-4-8-25(30-24)22-12-15-26-27(19-22)33-18-17-32-26/h1-8,10-15,19H,9,16-18H2,(H,29,31)

InChI Key

ZDTNWSRYDLFWPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19949718

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.352

Distribution Coefficient, logD

5.033

Water Solubility, LogSw

-5.81

Polar Surface Area

47.012

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

V004-9072 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 V004-9072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9072?
Check Price and Availability of V004-9072, 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 V004-9072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9072
  • 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 V004-9072 available by request