C582-0891 Screening compound: 4-nitro-5-(propan-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide

C582-0891 Screening compound: 4-nitro-5-(propan-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
C582-0891 Screening compound: 4-nitro-5-(propan-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C582-0891
4-nitro-5-(propan-2-yl)-N-(3,4,5-trimethoxyphenyl)-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

C582-0891

Molecular Formula

C16H19N3O7 (C16 H19 N3 O7)

Compound Name

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

IUPAC name

4-nitro-5-(propan-2-yl)-N-(345-trimethoxyphenyl)-12-oxazole-3-carboxamide

SMILES

CC(C)c(onc1C(Nc(cc2OC)cc(OC)c2OC)=O)c1[N+]([O-])=O

InChI

InChI=1S/C16H19N3O7/c1-8(2)14-13(19(21)22)12(18-26-14)16(20)17-9-6-10(23-3)15(25-5)11(7-9)24-4/h6-8H,1-5H3,(H,17,20)

InChI Key

VNUWAWASFQBOKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.453

Distribution Coefficient, logD

2.164

Water Solubility, LogSw

-2.90

Polar Surface Area

101.897

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with C582-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C582-0891?
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What is the minimum amount of C582-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C582-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C582-0891
  • 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 C582-0891 available by request