3729-3070 Screening compound: N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide

3729-3070 Screening compound: N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide
3729-3070 Screening compound: N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-3070
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-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

3729-3070

Molecular Formula

C20H15N3O5 (C20 H15 N3 O5)

Compound Name

N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide

IUPAC name

N-[2-(4-ethylphenyl)-13-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide

SMILES

CCc(cc1)ccc1-c1nc(cc(cc2)NC(c3ccc([N+]([O-])=O)o3)=O)c2o1

InChI

InChI=1S/C20H15N3O5/c1-2-12-3-5-13(6-4-12)20-22-15-11-14(7-8-16(15)28-20)21-19(24)17-9-10-18(27-17)23(25)26/h3-11H,2H2,1H3,(H,21,24)

InChI Key

ODVREANKOMGDFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01828621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.692

Distribution Coefficient, logD

4.683

Water Solubility, LogSw

-4.43

Polar Surface Area

82.800

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

3729-3070 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3729-3070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-3070?
Check Price and Availability of 3729-3070, 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 3729-3070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-3070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-3070
  • 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 3729-3070 available by request