0819-1009 Screening compound: N-[(1E)-1-(1H-1,2,3-benzotriazol-1-yl)-3,4,4-trichloro-2-nitro-1,3-butadienyl]-N-phenylamine

0819-1009 Screening compound: N-[(1E)-1-(1H-1,2,3-benzotriazol-1-yl)-3,4,4-trichloro-2-nitro-1,3-butadienyl]-N-phenylamine
0819-1009 Screening compound: N-[(1E)-1-(1H-1,2,3-benzotriazol-1-yl)-3,4,4-trichloro-2-nitro-1,3-butadienyl]-N-phenylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0819-1009
N-[(1E)-1-(1H-1,2,3-benzotriazol-1-yl)-3,4,4-trichloro-2-nitro-1,3-butadienyl]-N-phenylamine

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

0819-1009

Molecular Formula

C16H10Cl3N5O2 (C16 H10 Cl3 N5 O2)

Compound Name

N-[(1E)-1-(1H-1,2,3-benzotriazol-1-yl)-3,4,4-trichloro-2-nitro-1,3-butadienyl]-N-phenylamine

IUPAC name

N-[(1E)-1-(1H-123-benzotriazol-1-yl)-344-trichloro-2-nitrobuta-13-dien-1-yl]aniline

SMILES

[O-][N+](/C(/C(Cl)=C(Cl)Cl)=C(\Nc1ccccc1)/n1nnc2c1cccc2)=O

InChI

InChI=1S/C16H10Cl3N5O2/c17-13(15(18)19)14(24(25)26)16(20-10-6-2-1-3-7-10)23-12-9-5-4-8-11(12)21-22-23/h1-9,20H

InChI Key

OCLTUCSDONCSGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00992497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.876

Distribution Coefficient, logD

4.789

Water Solubility, LogSw

-5.01

Polar Surface Area

67.144

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0819-1009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0819-1009?
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What is the minimum amount of 0819-1009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0819-1009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0819-1009
  • 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 0819-1009 available by request