D160-0081 Screening compound: N-(4-ethyl-1,2,5-oxadiazol-3-yl)-2-oxo-2H-chromene-3-carboxamide

D160-0081 Screening compound: N-(4-ethyl-1,2,5-oxadiazol-3-yl)-2-oxo-2H-chromene-3-carboxamide
D160-0081 Screening compound: N-(4-ethyl-1,2,5-oxadiazol-3-yl)-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D160-0081
N-(4-ethyl-1,2,5-oxadiazol-3-yl)-2-oxo-2H-chromene-3-carboxamide

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

D160-0081

Molecular Formula

C14H11N3O4 (C14 H11 N3 O4)

Compound Name

N-(4-ethyl-1,2,5-oxadiazol-3-yl)-2-oxo-2H-chromene-3-carboxamide

IUPAC name

N-(4-ethyl-125-oxadiazol-3-yl)-2-oxo-2H-chromene-3-carboxamide

SMILES

CCc1nonc1NC(C1=Cc(cccc2)c2OC1=O)=O

InChI

InChI=1S/C14H11N3O4/c1-2-10-12(17-21-16-10)15-13(18)9-7-8-5-3-4-6-11(8)20-14(9)19/h3-7H,2H2,1H3,(H,15,17,18)

InChI Key

WQLFPBABMSUHCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06648350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.226

Distribution Coefficient, logD

1.404

Water Solubility, LogSw

-2.81

Polar Surface Area

81.775

Acid Dissociation Constant (pKa)

6.65

Base Dissociation Constant (pKb)

-5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D160-0081 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D160-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D160-0081?
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What is the minimum amount of D160-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D160-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D160-0081
  • 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 D160-0081 available by request