8016-6726 Screening compound: N~5~-(3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide

8016-6726 Screening compound: N~5~-(3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
8016-6726 Screening compound: N~5~-(3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6726
N~5~-(3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)-1,3-benzodioxole-5-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

8016-6726

Molecular Formula

C20H13N3O4 (C20 H13 N3 O4)

Compound Name

N~5~-(3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide

IUPAC name

N-(3-{[13]oxazolo[45-b]pyridin-2-yl}phenyl)-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)Nc1cc(-c2nc(nccc3)c3o2)ccc1

InChI

InChI=1S/C20H13N3O4/c24-19(12-6-7-15-17(10-12)26-11-25-15)22-14-4-1-3-13(9-14)20-23-18-16(27-20)5-2-8-21-18/h1-10H,11H2,(H,22,24)

InChI Key

YSQGTQZIDCHTRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04590594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.743

Distribution Coefficient, logD

3.743

Water Solubility, LogSw

-4.19

Polar Surface Area

67.629

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 8016-6726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6726?
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What is the minimum amount of 8016-6726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6726
  • 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 8016-6726 available by request