8004-4679 Screening compound: 2,2-diphenyl-N-({N'-[(E)-(2,4,6-trinitrophenyl)methylidene]hydrazinecarbonyl}methyl)acetamide

8004-4679 Screening compound: 2,2-diphenyl-N-({N'-[(E)-(2,4,6-trinitrophenyl)methylidene]hydrazinecarbonyl}methyl)acetamide
8004-4679 Screening compound: 2,2-diphenyl-N-({N'-[(E)-(2,4,6-trinitrophenyl)methylidene]hydrazinecarbonyl}methyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4679
2,2-diphenyl-N-({N'-[(E)-(2,4,6-trinitrophenyl)methylidene]hydrazinecarbonyl}methyl)acetamide

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

8004-4679

Molecular Formula

C23H18N6O8 (C23 H18 N6 O8)

Compound Name

2,2-diphenyl-N-({N'-[(E)-(2,4,6-trinitrophenyl)methylidene]hydrazinecarbonyl}methyl)acetamide

IUPAC name

22-diphenyl-N-({N'-[(E)-(246-trinitrophenyl)methylidene]hydrazinecarbonyl}methyl)acetamide

SMILES

[O-][N+](c1cc([N+]([O-])=O)c(/C=N/NC(CNC(C(c2ccccc2)c2ccccc2)=O)=O)c([N+]([O-])=O)c1)=O

InChI

InChI=1S/C23H18N6O8/c30-21(14-24-23(31)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16)26-25-13-18-19(28(34)35)11-17(27(32)33)12-20(18)29(36)37/h1-13,22H,14H2,(H,24,31)(H,26,30)

InChI Key

HVNMHZRZLDIYTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.43

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

3.990

Distribution Coefficient, logD

3.951

Water Solubility, LogSw

-4.31

Polar Surface Area

159.297

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8004-4679 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 8004-4679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4679?
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What is the minimum amount of 8004-4679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4679
  • 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 8004-4679 available by request