8002-6302 Screening compound: 4-({(E)-2-[2-{[2-((E)-1-{4-[(2,4-dichlorobenzoyl)oxy]-3-nitrophenyl}methylidene)hydrazino]carbonyl}-3-(4-nitrophenyl)acryloyl]hydrazono}methyl)-2-nitrophenyl 2,4-dichlorobenzoate

8002-6302 Screening compound: 4-({(E)-2-[2-{[2-((E)-1-{4-[(2,4-dichlorobenzoyl)oxy]-3-nitrophenyl}methylidene)hydrazino]carbonyl}-3-(4-nitrophenyl)acryloyl]hydrazono}methyl)-2-nitrophenyl 2,4-dichlorobenzoate
8002-6302 Screening compound: 4-({(E)-2-[2-{[2-((E)-1-{4-[(2,4-dichlorobenzoyl)oxy]-3-nitrophenyl}methylidene)hydrazino]carbonyl}-3-(4-nitrophenyl)acryloyl]hydrazono}methyl)-2-nitrophenyl 2,4-dichlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-6302
4-({(E)-2-[2-{[2-((E)-1-{4-[(2,4-dichlorobenzoyl)oxy]-3-nitrophenyl}methylidene)hydrazino]carbonyl}-3-(4-nitrophenyl)acryloyl]hydrazono}methyl)-2-nitrophenyl 2,4-dichlorobenzoate

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

8002-6302

Molecular Formula

C38H21Cl4N7O12 (C38 H21 Cl4 N7 O12)

Compound Name

4-({(E)-2-[2-{[2-((E)-1-{4-[(2,4-dichlorobenzoyl)oxy]-3-nitrophenyl}methylidene)hydrazino]carbonyl}-3-(4-nitrophenyl)acryloyl]hydrazono}methyl)-2-nitrophenyl 2,4-dichlorobenzoate

IUPAC name

4-[(E)-[(2-{N'-[(E)-[4-(24-dichlorobenzoyloxy)-3-nitrophenyl]methylidene]hydrazinecarbonyl}-3-(4-nitrophenyl)prop-2-enamido)imino]methyl]-2-nitrophenyl 24-dichlorobenzoate

SMILES

[O-][N+](c1ccc(C=C(C(N/N=C/c(cc2)cc([N+]([O-])=O)c2OC(c(ccc(Cl)c2)c2Cl)=O)=O)C(N/N=C/c(cc2)cc([N+]([O-])=O)c2OC(c(ccc(Cl)c2)c2Cl)=O)=O)cc1)=O

InChI

InChI=1S/C38H21Cl4N7O12/c39-23-5-9-26(29(41)16-23)37(52)60-33-11-3-21(14-31(33)48(56)57)18-43-45-35(50)28(13-20-1-7-25(8-2-20)47(54)55)36(51)46-44-19-22-4-12-34(32(15-22)49(58)59)61-38(53)27-10-6-24(40)17-30(27)42/h1-19H,(H,45,50)(H,46,51)

InChI Key

RXCPEVGUYFFZRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00733049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

909.44

Hydrogen Bond Acceptors Count

24.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

19

Partition Coefficient, logP

9.157

Distribution Coefficient, logD

9.118

Water Solubility, LogSw

-7.09

Polar Surface Area

211.342

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8002-6302 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8002-6302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-6302?
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What is the minimum amount of 8002-6302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-6302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-6302
  • 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 8002-6302 available by request