8007-4302 Screening compound: 1{H}-1,2,4-triazolium, 1-[2-[(2,4-dichlorophenyl)amino]-2-oxoethyl]-4-(nitroamino)-, inner salt

8007-4302 Screening compound: 1{H}-1,2,4-triazolium, 1-[2-[(2,4-dichlorophenyl)amino]-2-oxoethyl]-4-(nitroamino)-, inner salt
8007-4302 Screening compound: 1{H}-1,2,4-triazolium, 1-[2-[(2,4-dichlorophenyl)amino]-2-oxoethyl]-4-(nitroamino)-, inner salt alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4302
1{H}-1,2,4-triazolium, 1-[2-[(2,4-dichlorophenyl)amino]-2-oxoethyl]-4-(nitroamino)-, inner salt

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

8007-4302

Molecular Formula

C10H8Cl2N6O3 (C10 H8 Cl2 N6 O3)

Compound Name

1{H}-1,2,4-triazolium, 1-[2-[(2,4-dichlorophenyl)amino]-2-oxoethyl]-4-(nitroamino)-, inner salt

IUPAC name

1-{[(24-dichlorophenyl)carbamoyl]methyl}-4-(nitroazanidyl)-1H-124-triazol-4-ium

SMILES

[O-][N+]([N-][n+]1cn(CC(Nc(ccc(Cl)c2)c2Cl)=O)nc1)=O

InChI

InChI=1S/C10H8Cl2N6O3/c11-7-1-2-9(8(12)3-7)14-10(19)4-16-6-17(5-13-16)15-18(20)21/h1-3,5-6H,4H2,(H,14,19)

InChI Key

WXHQIJAZCUZEMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.12

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.157

Distribution Coefficient, logD

1.148

Water Solubility, LogSw

-2.69

Polar Surface Area

89.007

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 8007-4302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4302?
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What is the minimum amount of 8007-4302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4302
  • 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 8007-4302 available by request