8003-9856 Screening compound: 4-[(E)-[(2E)-2-[(4-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy}phenyl)methylidene]hydrazin-1-ylidene]methyl]phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

8003-9856 Screening compound: 4-[(E)-[(2E)-2-[(4-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy}phenyl)methylidene]hydrazin-1-ylidene]methyl]phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
8003-9856 Screening compound: 4-[(E)-[(2E)-2-[(4-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy}phenyl)methylidene]hydrazin-1-ylidene]methyl]phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-9856
4-[(E)-[(2E)-2-[(4-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy}phenyl)methylidene]hydrazin-1-ylidene]methyl]phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

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

8003-9856

Molecular Formula

C36H32N2O8 (C36 H32 N2 O8)

Compound Name

4-[(E)-[(2E)-2-[(4-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy}phenyl)methylidene]hydrazin-1-ylidene]methyl]phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

IUPAC name

4-[(E)-[(2E)-2-[(4-{[(2E)-3-(34-dimethoxyphenyl)prop-2-enoyl]oxy}phenyl)methylidene]hydrazin-1-ylidene]methyl]phenyl (2E)-3-(34-dimethoxyphenyl)prop-2-enoate

SMILES

COc(ccc(/C=C/C(Oc1ccc(/C=N/N=C/c(cc2)ccc2OC(/C=C/c(cc2)cc(OC)c2OC)=O)cc1)=O)c1)c1OC

InChI

InChI=1S/C36H32N2O8/c1-41-31-17-9-25(21-33(31)43-3)11-19-35(39)45-29-13-5-27(6-14-29)23-37-38-24-28-7-15-30(16-8-28)46-36(40)20-12-26-10-18-32(42-2)34(22-26)44-4/h5-24H,1-4H3

InChI Key

ZCJCCUOZWCFYOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00736619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

620.66

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.640

Distribution Coefficient, logD

5.640

Water Solubility, LogSw

-5.59

Polar Surface Area

89.761

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8003-9856 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8003-9856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-9856?
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What is the minimum amount of 8003-9856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-9856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-9856
  • 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 8003-9856 available by request