D176-0047 Screening compound: N'-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-N-(2,4-dimethoxyphenyl)ethanediamide

D176-0047 Screening compound: N'-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-N-(2,4-dimethoxyphenyl)ethanediamide
D176-0047 Screening compound: N'-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-N-(2,4-dimethoxyphenyl)ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D176-0047
N'-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-N-(2,4-dimethoxyphenyl)ethanediamide

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

D176-0047

Molecular Formula

C20H22N2O5 (C20 H22 N2 O5)

Compound Name

N'-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-N-(2,4-dimethoxyphenyl)ethanediamide

IUPAC name

N'-[(34-dihydro-1H-2-benzopyran-1-yl)methyl]-N-(24-dimethoxyphenyl)ethanediamide

SMILES

COc(cc1)cc(OC)c1NC(C(NCC1OCCc2c1cccc2)=O)=O

InChI

InChI=1S/C20H22N2O5/c1-25-14-7-8-16(17(11-14)26-2)22-20(24)19(23)21-12-18-15-6-4-3-5-13(15)9-10-27-18/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,23)(H,22,24)/t18-/m0/s1

InChI Key

BZGHICLIGDQSKP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14813615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.288

Distribution Coefficient, logD

1.126

Water Solubility, LogSw

-3.02

Polar Surface Area

71.124

Acid Dissociation Constant (pKa)

6.27

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

D176-0047 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D176-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D176-0047?
Check Price and Availability of D176-0047, 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 D176-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D176-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D176-0047
  • 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 D176-0047 available by request