4393-0196 Screening compound: (3E)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one

4393-0196 Screening compound: (3E)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
4393-0196 Screening compound: (3E)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4393-0196
(3E)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one

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

4393-0196

Molecular Formula

C15H11N3O6 (C15 H11 N3 O6)

Compound Name

(3E)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one

IUPAC name

(3E)-3-[2-(24-dimethyl-13-oxazol-5-yl)-2-oxoethylidene]-7-nitro-34-dihydro-2H-14-benzoxazin-2-one

SMILES

Cc1c(C(/C=C2/Nc(ccc([N+]([O-])=O)c3)c3OC2=O)=O)oc(C)n1

InChI

InChI=1S/C15H11N3O6/c1-7-14(23-8(2)16-7)12(19)6-11-15(20)24-13-5-9(18(21)22)3-4-10(13)17-11/h3-6,17H,1-2H3

InChI Key

YNCVETOBWBGNTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.27

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.438

Distribution Coefficient, logD

2.412

Water Solubility, LogSw

-3.00

Polar Surface Area

96.287

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 4393-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4393-0196?
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What is the minimum amount of 4393-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4393-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4393-0196
  • 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 4393-0196 available by request