C582-0873 Screening compound: N-(4-ethylphenyl)-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide

C582-0873 Screening compound: N-(4-ethylphenyl)-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
C582-0873 Screening compound: N-(4-ethylphenyl)-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C582-0873
N-(4-ethylphenyl)-4-nitro-5-(propan-2-yl)-1,2-oxazole-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

C582-0873

Molecular Formula

C15H17N3O4 (C15 H17 N3 O4)

Compound Name

N-(4-ethylphenyl)-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide

IUPAC name

N-(4-ethylphenyl)-4-nitro-5-(propan-2-yl)-12-oxazole-3-carboxamide

SMILES

CCc(cc1)ccc1NC(c1noc(C(C)C)c1[N+]([O-])=O)=O

InChI

InChI=1S/C15H17N3O4/c1-4-10-5-7-11(8-6-10)16-15(19)12-13(18(20)21)14(9(2)3)22-17-12/h5-9H,4H2,1-3H3,(H,16,19)

InChI Key

UMIXBIQQTYKPGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.003

Distribution Coefficient, logD

4.001

Water Solubility, LogSw

-4.06

Polar Surface Area

78.920

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C582-0873 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Selective Target Activity Profiling Library (14702 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 C582-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C582-0873?
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What is the minimum amount of C582-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C582-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C582-0873
  • 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 C582-0873 available by request