D725-0124 Screening compound: 5-bromo-N-[(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)methyl]furan-2-carboxamide

D725-0124 Screening compound: 5-bromo-N-[(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)methyl]furan-2-carboxamide
D725-0124 Screening compound: 5-bromo-N-[(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D725-0124
5-bromo-N-[(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)methyl]furan-2-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

D725-0124

Molecular Formula

C18H12BrN3O3 (C18 H12 BrN3 O3)

Compound Name

5-bromo-N-[(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)methyl]furan-2-carboxamide

IUPAC name

5-bromo-N-[(4-{[13]oxazolo[45-b]pyridin-2-yl}phenyl)methyl]furan-2-carboxamide

SMILES

O=C(c(o1)ccc1Br)NCc(cc1)ccc1-c1nc(nccc2)c2o1

InChI

InChI=1S/C18H12BrN3O3/c19-15-8-7-14(24-15)17(23)21-10-11-3-5-12(6-4-11)18-22-16-13(25-18)2-1-9-20-16/h1-9H,10H2,(H,21,23)

InChI Key

WGAPMSXFQARXPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07178136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.287

Distribution Coefficient, logD

3.286

Water Solubility, LogSw

-3.40

Polar Surface Area

60.762

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

D725-0124 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D725-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D725-0124?
Check Price and Availability of D725-0124, 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 D725-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D725-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D725-0124
  • 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 D725-0124 available by request