8005-7954 Screening compound: 4-chloro-2-({[5-(3-{[(E)-1-(3-chloro-6-hydroxy-2,4-dimethyl-5-nitrophenyl)methylidene]amino}-4-hydroxybenzyl)-2-hydroxyphenyl]imino}methyl)-3,5-dimethyl-6-nitrophenol

8005-7954 Screening compound: 4-chloro-2-({[5-(3-{[(E)-1-(3-chloro-6-hydroxy-2,4-dimethyl-5-nitrophenyl)methylidene]amino}-4-hydroxybenzyl)-2-hydroxyphenyl]imino}methyl)-3,5-dimethyl-6-nitrophenol
8005-7954 Screening compound: 4-chloro-2-({[5-(3-{[(E)-1-(3-chloro-6-hydroxy-2,4-dimethyl-5-nitrophenyl)methylidene]amino}-4-hydroxybenzyl)-2-hydroxyphenyl]imino}methyl)-3,5-dimethyl-6-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7954
4-chloro-2-({[5-(3-{[(E)-1-(3-chloro-6-hydroxy-2,4-dimethyl-5-nitrophenyl)methylidene]amino}-4-hydroxybenzyl)-2-hydroxyphenyl]imino}methyl)-3,5-dimethyl-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

8005-7954

Molecular Formula

C31H26Cl2N4O8 (C31 H26 Cl2 N4 O8)

Compound Name

4-chloro-2-({[5-(3-{[(E)-1-(3-chloro-6-hydroxy-2,4-dimethyl-5-nitrophenyl)methylidene]amino}-4-hydroxybenzyl)-2-hydroxyphenyl]imino}methyl)-3,5-dimethyl-6-nitrophenol

IUPAC name

4-chloro-2-[(E)-{[5-({3-[(E)-[(3-chloro-6-hydroxy-24-dimethyl-5-nitrophenyl)methylidene]amino]-4-hydroxyphenyl}methyl)-2-hydroxyphenyl]imino}methyl]-35-dimethyl-6-nitrophenol

SMILES

Cc(c(/C=N/c(cc(Cc(cc1)cc(/N=C/c2c(C)c(Cl)c(C)c([N+]([O-])=O)c2O)c1O)cc1)c1O)c(c([N+]([O-])=O)c1C)O)c1Cl

InChI

InChI=1S/C31H26Cl2N4O8/c1-14-20(30(40)28(36(42)43)16(3)26(14)32)12-34-22-10-18(5-7-24(22)38)9-19-6-8-25(39)23(11-19)35-13-21-15(2)27(33)17(4)29(31(21)41)37(44)45/h5-8,10-13,38-41H,9H2,1-4H3

InChI Key

XYVHOZHBHXYKLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

653.47

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

8.798

Distribution Coefficient, logD

7.018

Water Solubility, LogSw

-6.23

Polar Surface Area

144.440

Acid Dissociation Constant (pKa)

5.63

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.13

8005-7954 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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 8005-7954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7954?
Check Price and Availability of 8005-7954, 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 8005-7954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7954
  • 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 8005-7954 available by request