1804-0043 Screening compound: 4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(2-hydroxy-3,5-dinitrophenyl)methyl]-2H-chromen-2-one

1804-0043 Screening compound: 4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(2-hydroxy-3,5-dinitrophenyl)methyl]-2H-chromen-2-one
1804-0043 Screening compound: 4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(2-hydroxy-3,5-dinitrophenyl)methyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1804-0043
4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(2-hydroxy-3,5-dinitrophenyl)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

1804-0043

Molecular Formula

C25H14N2O11 (C25 H14 N2 O11)

Compound Name

4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(2-hydroxy-3,5-dinitrophenyl)methyl]-2H-chromen-2-one

IUPAC name

4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(2-hydroxy-35-dinitrophenyl)methyl]-2H-chromen-2-one

SMILES

[O-][N+](c(cc1C(C(C(Oc2c3cccc2)=O)=C3O)C(C(Oc2c3cccc2)=O)=C3O)cc([N+]([O-])=O)c1O)=O

InChI

InChI=1S/C25H14N2O11/c28-21-14(9-11(26(33)34)10-15(21)27(35)36)18(19-22(29)12-5-1-3-7-16(12)37-24(19)31)20-23(30)13-6-2-4-8-17(13)38-25(20)32/h1-10,18,28-30H

InChI Key

PIYFMBRCPOEBAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.39

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.233

Distribution Coefficient, logD

0.091

Water Solubility, LogSw

-3.80

Polar Surface Area

153.622

Acid Dissociation Constant (pKa)

4.26

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

References: we are preparing a list of scientific research reports with 1804-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1804-0043?
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What is the minimum amount of 1804-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1804-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1804-0043
  • 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 1804-0043 available by request