C301-0628 Screening compound: (3E)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethylidene]-6,7-dinitro-1,2,3,4-tetrahydroquinoxalin-2-one

C301-0628 Screening compound: (3E)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethylidene]-6,7-dinitro-1,2,3,4-tetrahydroquinoxalin-2-one
C301-0628 Screening compound: (3E)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethylidene]-6,7-dinitro-1,2,3,4-tetrahydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0628
(3E)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethylidene]-6,7-dinitro-1,2,3,4-tetrahydroquinoxalin-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

C301-0628

Molecular Formula

C18H14N4O8 (C18 H14 N4 O8)

Compound Name

(3E)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethylidene]-6,7-dinitro-1,2,3,4-tetrahydroquinoxalin-2-one

IUPAC name

(3E)-3-[2-(24-dimethoxyphenyl)-2-oxoethylidene]-67-dinitro-1234-tetrahydroquinoxalin-2-one

SMILES

COc(cc1)cc(OC)c1C(/C=C(\C(Nc1c2)=O)/Nc1cc([N+]([O-])=O)c2[N+]([O-])=O)=O

InChI

InChI=1S/C18H14N4O8/c1-29-9-3-4-10(17(5-9)30-2)16(23)8-13-18(24)20-12-7-15(22(27)28)14(21(25)26)6-11(12)19-13/h3-8,19H,1-2H3,(H,20,24)

InChI Key

REVZYQFRTWLSOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.33

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.923

Distribution Coefficient, logD

-0.374

Water Solubility, LogSw

-3.74

Polar Surface Area

130.686

Acid Dissociation Constant (pKa)

4.10

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with C301-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0628?
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What is the minimum amount of C301-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0628
  • 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 C301-0628 available by request