1311-2249 Screening compound: 3-benzyl-7-[(2Z)-2-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-2-phenylethoxy]-4-methyl-2H-chromen-2-one

1311-2249 Screening compound: 3-benzyl-7-[(2Z)-2-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-2-phenylethoxy]-4-methyl-2H-chromen-2-one
1311-2249 Screening compound: 3-benzyl-7-[(2Z)-2-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-2-phenylethoxy]-4-methyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1311-2249
3-benzyl-7-[(2Z)-2-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-2-phenylethoxy]-4-methyl-2H-chromen-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

1311-2249

Molecular Formula

C31H24N4O7 (C31 H24 N4 O7)

Compound Name

3-benzyl-7-[(2Z)-2-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-2-phenylethoxy]-4-methyl-2H-chromen-2-one

IUPAC name

3-benzyl-7-[(2Z)-2-[2-(24-dinitrophenyl)hydrazin-1-ylidene]-2-phenylethoxy]-4-methyl-2H-chromen-2-one

SMILES

CC(c(ccc(OC/C(/c1ccccc1)=N\Nc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O)c1)c1O1)=C(Cc2ccccc2)C1=O

InChI

InChI=1S/C31H24N4O7/c1-20-25-14-13-24(18-30(25)42-31(36)26(20)16-21-8-4-2-5-9-21)41-19-28(22-10-6-3-7-11-22)33-32-27-15-12-23(34(37)38)17-29(27)35(39)40/h2-15,17-18,32H,16,19H2,1H3

InChI Key

WEBCMHREZDKNPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.55

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

7.421

Distribution Coefficient, logD

7.418

Water Solubility, LogSw

-5.74

Polar Surface Area

114.617

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.70

1311-2249 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1311-2249 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1311-2249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1311-2249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1311-2249
  • 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 1311-2249 available by request