D220-1147 Screening compound: N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide

D220-1147 Screening compound: N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide
D220-1147 Screening compound: N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D220-1147
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide

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

D220-1147

Molecular Formula

C16H21N3O4 (C16 H21 N3 O4)

Compound Name

N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide

IUPAC name

N-[4-(34-dimethoxyphenyl)-125-oxadiazol-3-yl]-2-ethylbutanamide

SMILES

CCC(CC)C(Nc1nonc1-c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C16H21N3O4/c1-5-10(6-2)16(20)17-15-14(18-23-19-15)11-7-8-12(21-3)13(9-11)22-4/h7-10H,5-6H2,1-4H3,(H,17,19,20)

InChI Key

JLRZJRZXJBYGDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07427113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.438

Distribution Coefficient, logD

3.431

Water Solubility, LogSw

-3.53

Polar Surface Area

75.618

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

-4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

D220-1147 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D220-1147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D220-1147?
Check Price and Availability of D220-1147, 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 D220-1147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D220-1147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D220-1147
  • 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 D220-1147 available by request