D109-0285 Screening compound: N-(4-METHYL-1,2,5-OXADIAZOL-3-YL)-2-OXO-2H-CHROMENE-3-CARBOXAMIDE

D109-0285 Screening compound: N-(4-METHYL-1,2,5-OXADIAZOL-3-YL)-2-OXO-2H-CHROMENE-3-CARBOXAMIDE
D109-0285 Screening compound: N-(4-METHYL-1,2,5-OXADIAZOL-3-YL)-2-OXO-2H-CHROMENE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound D109-0285
N-(4-METHYL-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

D109-0285

Molecular Formula

C13H9N3O4 (C13 H9 N3 O4)

Compound Name

N-(4-METHYL-1,2,5-OXADIAZOL-3-YL)-2-OXO-2H-CHROMENE-3-CARBOXAMIDE

IUPAC name

n/a

SMILES

Cc1nonc1NC(C1=Cc(cccc2)c2OC1=O)=O

InChI

InChI=1S/C13H9N3O4/c1-7-11(16-20-15-7)14-12(17)9-6-8-4-2-3-5-10(8)19-13(9)18/h2-6H,1H3,(H,14,16,17)

InChI Key

MMDUXUYIMDSNMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07425929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.697

Distribution Coefficient, logD

0.472

Water Solubility, LogSw

-2.07

Polar Surface Area

81.086

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

-5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

D109-0285 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 D109-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D109-0285?
Check Price and Availability of D109-0285, 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 D109-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D109-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D109-0285
  • 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 D109-0285 available by request