0627-0344 Screening compound: 4-[2,2-dichloro-1-(4-hydroxy-3-methyl-5-nitrophenyl)ethenyl]-2-methyl-6-nitrophenol

0627-0344 Screening compound: 4-[2,2-dichloro-1-(4-hydroxy-3-methyl-5-nitrophenyl)ethenyl]-2-methyl-6-nitrophenol
0627-0344 Screening compound: 4-[2,2-dichloro-1-(4-hydroxy-3-methyl-5-nitrophenyl)ethenyl]-2-methyl-6-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0627-0344
4-[2,2-dichloro-1-(4-hydroxy-3-methyl-5-nitrophenyl)ethenyl]-2-methyl-6-nitrophenol

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

0627-0344

Molecular Formula

C16H12Cl2N2O6 (C16 H12 Cl2 N2 O6)

Compound Name

4-[2,2-dichloro-1-(4-hydroxy-3-methyl-5-nitrophenyl)ethenyl]-2-methyl-6-nitrophenol

IUPAC name

4-[22-dichloro-1-(4-hydroxy-3-methyl-5-nitrophenyl)ethenyl]-2-methyl-6-nitrophenol

SMILES

Cc1cc(C(c(cc2C)cc([N+]([O-])=O)c2O)=C(Cl)Cl)cc([N+]([O-])=O)c1O

InChI

InChI=1S/C16H12Cl2N2O6/c1-7-3-9(5-11(14(7)21)19(23)24)13(16(17)18)10-4-8(2)15(22)12(6-10)20(25)26/h3-6,21-22H,1-2H3

InChI Key

OHHOLZWTBLIIGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00221892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.19

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.039

Distribution Coefficient, logD

4.607

Water Solubility, LogSw

-4.97

Polar Surface Area

97.086

Acid Dissociation Constant (pKa)

7.17

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0627-0344 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Carbonic Anhydrase II Library (4939 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0627-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0627-0344?
Check Price and Availability of 0627-0344, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0627-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0627-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0627-0344
  • 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 0627-0344 available by request