C582-0888 Screening compound: N-(2,4-difluorophenyl)-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide

C582-0888 Screening compound: N-(2,4-difluorophenyl)-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
C582-0888 Screening compound: N-(2,4-difluorophenyl)-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C582-0888
N-(2,4-difluorophenyl)-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

C582-0888

Molecular Formula

C13H11F2N3O4 (C13 H11 F2 N3 O4)

Compound Name

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

IUPAC name

N-(24-difluorophenyl)-4-nitro-5-(propan-2-yl)-12-oxazole-3-carboxamide

SMILES

CC(C)c(onc1C(Nc(ccc(F)c2)c2F)=O)c1[N+]([O-])=O

InChI

InChI=1S/C13H11F2N3O4/c1-6(2)12-11(18(20)21)10(17-22-12)13(19)16-9-4-3-7(14)5-8(9)15/h3-6H,1-2H3,(H,16,19)

InChI Key

POXDBLFINPHGRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.187

Distribution Coefficient, logD

1.791

Water Solubility, LogSw

-3.59

Polar Surface Area

78.222

Acid Dissociation Constant (pKa)

6.02

Base Dissociation Constant (pKb)

-5.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C582-0888 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C582-0888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C582-0888?
Check Price and Availability of C582-0888, 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 C582-0888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C582-0888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C582-0888
  • 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 C582-0888 available by request