8004-4676 Screening compound: 3,4,5-trimethoxy-N-({N'-[(E)-(2,4,6-trinitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

8004-4676 Screening compound: 3,4,5-trimethoxy-N-({N'-[(E)-(2,4,6-trinitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide
8004-4676 Screening compound: 3,4,5-trimethoxy-N-({N'-[(E)-(2,4,6-trinitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4676
3,4,5-trimethoxy-N-({N'-[(E)-(2,4,6-trinitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

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

8004-4676

Molecular Formula

C19H18N6O11 (C19 H18 N6 O11)

Compound Name

3,4,5-trimethoxy-N-({N'-[(E)-(2,4,6-trinitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

IUPAC name

345-trimethoxy-N-({N'-[(E)-(246-trinitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

SMILES

COc1cc(C(NCC(N/N=C/c(c([N+]([O-])=O)cc([N+]([O-])=O)c2)c2[N+]([O-])=O)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C19H18N6O11/c1-34-15-4-10(5-16(35-2)18(15)36-3)19(27)20-9-17(26)22-21-8-12-13(24(30)31)6-11(23(28)29)7-14(12)25(32)33/h4-8H,9H2,1-3H3,(H,20,27)(H,22,26)

InChI Key

QTYMYXBFZHFJCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.39

Hydrogen Bond Acceptors Count

20.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

17

Partition Coefficient, logP

2.355

Distribution Coefficient, logD

2.332

Water Solubility, LogSw

-2.77

Polar Surface Area

182.546

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

8004-4676 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8004-4676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4676?
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What is the minimum amount of 8004-4676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4676
  • 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 8004-4676 available by request