8001-0574 Screening compound: 4-[(E)-[({N'-[(E)-[4-(4-methoxybenzoyloxy)-3-nitrophenyl]methylidene]hydrazinecarbonyl}formamido)imino]methyl]-2-nitrophenyl 4-methoxybenzoate

8001-0574 Screening compound: 4-[(E)-[({N'-[(E)-[4-(4-methoxybenzoyloxy)-3-nitrophenyl]methylidene]hydrazinecarbonyl}formamido)imino]methyl]-2-nitrophenyl 4-methoxybenzoate
8001-0574 Screening compound: 4-[(E)-[({N'-[(E)-[4-(4-methoxybenzoyloxy)-3-nitrophenyl]methylidene]hydrazinecarbonyl}formamido)imino]methyl]-2-nitrophenyl 4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-0574
4-[(E)-[({N'-[(E)-[4-(4-methoxybenzoyloxy)-3-nitrophenyl]methylidene]hydrazinecarbonyl}formamido)imino]methyl]-2-nitrophenyl 4-methoxybenzoate

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

8001-0574

Molecular Formula

C32H24N6O12 (C32 H24 N6 O12)

Compound Name

4-[(E)-[({N'-[(E)-[4-(4-methoxybenzoyloxy)-3-nitrophenyl]methylidene]hydrazinecarbonyl}formamido)imino]methyl]-2-nitrophenyl 4-methoxybenzoate

IUPAC name

4-[(E)-[({N'-[(E)-[4-(4-methoxybenzoyloxy)-3-nitrophenyl]methylidene]hydrazinecarbonyl}formamido)imino]methyl]-2-nitrophenyl 4-methoxybenzoate

SMILES

COc(cc1)ccc1C(Oc(ccc(/C=N/NC(C(N/N=C/c(cc1)cc([N+]([O-])=O)c1OC(c(cc1)ccc1OC)=O)=O)=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C32H24N6O12/c1-47-23-9-5-21(6-10-23)31(41)49-27-13-3-19(15-25(27)37(43)44)17-33-35-29(39)30(40)36-34-18-20-4-14-28(26(16-20)38(45)46)50-32(42)22-7-11-24(48-2)12-8-22/h3-18H,1-2H3,(H,35,39)(H,36,40)

InChI Key

ZGMRELLYPYCXLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00731488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

684.58

Hydrogen Bond Acceptors Count

22.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

18

Partition Coefficient, logP

4.199

Distribution Coefficient, logD

1.679

Water Solubility, LogSw

-4.52

Polar Surface Area

193.319

Acid Dissociation Constant (pKa)

4.88

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

8001-0574 in Drug Discovery

Included in Screening Libraries

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:
  • 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 8001-0574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-0574?
Check Price and Availability of 8001-0574, 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 8001-0574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-0574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-0574
  • 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 8001-0574 available by request