8006-3596 Screening compound: benzyl [4-(3-{[1-benzyl-2-(2-{(E)-1-[4-(2-naphthylmethoxy)phenyl]methylidene}hydrazino)-2-oxoethyl]amino}-2-{[(benzyloxy)carbonyl]amino}-3-oxopropyl)phenyl] carbonate

8006-3596 Screening compound: benzyl [4-(3-{[1-benzyl-2-(2-{(E)-1-[4-(2-naphthylmethoxy)phenyl]methylidene}hydrazino)-2-oxoethyl]amino}-2-{[(benzyloxy)carbonyl]amino}-3-oxopropyl)phenyl] carbonate
8006-3596 Screening compound: benzyl [4-(3-{[1-benzyl-2-(2-{(E)-1-[4-(2-naphthylmethoxy)phenyl]methylidene}hydrazino)-2-oxoethyl]amino}-2-{[(benzyloxy)carbonyl]amino}-3-oxopropyl)phenyl] carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-3596
benzyl [4-(3-{[1-benzyl-2-(2-{(E)-1-[4-(2-naphthylmethoxy)phenyl]methylidene}hydrazino)-2-oxoethyl]amino}-2-{[(benzyloxy)carbonyl]amino}-3-oxopropyl)phenyl] carbonate

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

8006-3596

Molecular Formula

C52H46N4O8 (C52 H46 N4 O8)

Compound Name

benzyl [4-(3-{[1-benzyl-2-(2-{(E)-1-[4-(2-naphthylmethoxy)phenyl]methylidene}hydrazino)-2-oxoethyl]amino}-2-{[(benzyloxy)carbonyl]amino}-3-oxopropyl)phenyl] carbonate

IUPAC name

benzyl 4-(2-{[(benzyloxy)carbonyl]amino}-2-[(1-{N'-[(E)-{4-[(naphthalen-2-yl)methoxy]phenyl}methylidene]hydrazinecarbonyl}-2-phenylethyl)carbamoyl]ethyl)phenyl carbonate

SMILES

O=C(C(Cc(cc1)ccc1OC(OCc1ccccc1)=O)NC(OCc1ccccc1)=O)NC(Cc1ccccc1)C(N/N=C/c(cc1)ccc1OCc1cc2ccccc2cc1)=O

InChI

InChI=1S/C52H46N4O8/c57-49(47(55-51(59)62-34-40-14-6-2-7-15-40)32-38-21-28-46(29-22-38)64-52(60)63-35-41-16-8-3-9-17-41)54-48(31-37-12-4-1-5-13-37)50(58)56-53-33-39-23-26-45(27-24-39)61-36-42-20-25-43-18-10-11-19-44(43)30-42/h1-30,33,47-48H,31-32,34-36H2,(H,54,57)(H,55,59)(H,56,58)

InChI Key

AFGQCRQUKYPFSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

854.96

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

24.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

9.621

Distribution Coefficient, logD

9.620

Water Solubility, LogSw

-6.96

Polar Surface Area

127.924

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

13.46

8006-3596 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 8006-3596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-3596?
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What is the minimum amount of 8006-3596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-3596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-3596
  • 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 8006-3596 available by request