8017-4794 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-2-(morpholin-4-yl)-5-nitrobenzamide

8017-4794 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-2-(morpholin-4-yl)-5-nitrobenzamide
8017-4794 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-2-(morpholin-4-yl)-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4794
N-(5-methyl-1,2-oxazol-3-yl)-2-(morpholin-4-yl)-5-nitrobenzamide

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

8017-4794

Molecular Formula

C15H16N4O5 (C15 H16 N4 O5)

Compound Name

N-(5-methyl-1,2-oxazol-3-yl)-2-(morpholin-4-yl)-5-nitrobenzamide

IUPAC name

N-(5-methyl-12-oxazol-3-yl)-2-(morpholin-4-yl)-5-nitrobenzamide

SMILES

Cc1cc(NC(c(cc(cc2)[N+]([O-])=O)c2N2CCOCC2)=O)no1

InChI

InChI=1S/C15H16N4O5/c1-10-8-14(17-24-10)16-15(20)12-9-11(19(21)22)2-3-13(12)18-4-6-23-7-5-18/h2-3,8-9H,4-7H2,1H3,(H,16,17,20)

InChI Key

FJAMZMFNJJOGKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.314

Distribution Coefficient, logD

0.646

Water Solubility, LogSw

-3.14

Polar Surface Area

89.567

Acid Dissociation Constant (pKa)

5.74

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8017-4794 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-4794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4794?
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What is the minimum amount of 8017-4794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4794
  • 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 8017-4794 available by request