8004-4505 Screening compound: 4-[((E)-2-{2-benzyl-3-[2-((E)-1-{4-[(3-methylbenzoyl)oxy]-3-nitrophenyl}methylidene)hydrazino]-3-oxopropanoyl}hydrazono)methyl]-2-nitrophenyl 3-methylbenzoate

8004-4505 Screening compound: 4-[((E)-2-{2-benzyl-3-[2-((E)-1-{4-[(3-methylbenzoyl)oxy]-3-nitrophenyl}methylidene)hydrazino]-3-oxopropanoyl}hydrazono)methyl]-2-nitrophenyl 3-methylbenzoate
8004-4505 Screening compound: 4-[((E)-2-{2-benzyl-3-[2-((E)-1-{4-[(3-methylbenzoyl)oxy]-3-nitrophenyl}methylidene)hydrazino]-3-oxopropanoyl}hydrazono)methyl]-2-nitrophenyl 3-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4505
4-[((E)-2-{2-benzyl-3-[2-((E)-1-{4-[(3-methylbenzoyl)oxy]-3-nitrophenyl}methylidene)hydrazino]-3-oxopropanoyl}hydrazono)methyl]-2-nitrophenyl 3-methylbenzoate

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

8004-4505

Molecular Formula

C40H32N6O10 (C40 H32 N6 O10)

Compound Name

4-[((E)-2-{2-benzyl-3-[2-((E)-1-{4-[(3-methylbenzoyl)oxy]-3-nitrophenyl}methylidene)hydrazino]-3-oxopropanoyl}hydrazono)methyl]-2-nitrophenyl 3-methylbenzoate

IUPAC name

4-[(E)-[(2-benzyl-2-{N'-[(E)-[4-(3-methylbenzoyloxy)-3-nitrophenyl]methylidene]hydrazinecarbonyl}acetamido)imino]methyl]-2-nitrophenyl 3-methylbenzoate

SMILES

Cc1cccc(C(Oc(ccc(/C=N/NC(C(Cc2ccccc2)C(N/N=C/c(cc2)cc([N+]([O-])=O)c2OC(c2cc(C)ccc2)=O)=O)=O)c2)c2[N+]([O-])=O)=O)c1

InChI

InChI=1S/C40H32N6O10/c1-25-8-6-12-30(18-25)39(49)55-35-16-14-28(21-33(35)45(51)52)23-41-43-37(47)32(20-27-10-4-3-5-11-27)38(48)44-42-24-29-15-17-36(34(22-29)46(53)54)56-40(50)31-13-7-9-26(2)19-31/h3-19,21-24,32H,20H2,1-2H3,(H,43,47)(H,44,48)

InChI Key

SJZVIUVWXLYAAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

756.73

Hydrogen Bond Acceptors Count

20.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

6.882

Distribution Coefficient, logD

6.880

Water Solubility, LogSw

-5.78

Polar Surface Area

177.960

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8004-4505 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8004-4505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4505?
Check Price and Availability of 8004-4505, 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 8004-4505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4505
  • 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 8004-4505 available by request