7418-0247 Screening compound: N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-5-nitrofuran-2-carboxamide

7418-0247 Screening compound: N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-5-nitrofuran-2-carboxamide
7418-0247 Screening compound: N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-5-nitrofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7418-0247
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-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

7418-0247

Molecular Formula

C19H13N3O6 (C19 H13 N3 O6)

Compound Name

N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-5-nitrofuran-2-carboxamide

IUPAC name

N-[3-(5-methoxy-13-benzoxazol-2-yl)phenyl]-5-nitrofuran-2-carboxamide

SMILES

COc(cc1)cc2c1oc(-c1cccc(NC(c3ccc([N+]([O-])=O)o3)=O)c1)n2

InChI

InChI=1S/C19H13N3O6/c1-26-13-5-6-15-14(10-13)21-19(28-15)11-3-2-4-12(9-11)20-18(23)16-7-8-17(27-16)22(24)25/h2-10H,1H3,(H,20,23)

InChI Key

ICESZKCYTOBPAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05796829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.795

Distribution Coefficient, logD

3.795

Water Solubility, LogSw

-4.20

Polar Surface Area

90.344

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

7418-0247 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 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 7418-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7418-0247?
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What is the minimum amount of 7418-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7418-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7418-0247
  • 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 7418-0247 available by request