0819-1008 Screening compound: N-[(1E)-1-(1H-1,2,3-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-3-bromoaniline

0819-1008 Screening compound: N-[(1E)-1-(1H-1,2,3-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-3-bromoaniline
0819-1008 Screening compound: N-[(1E)-1-(1H-1,2,3-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-3-bromoaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 0819-1008
N-[(1E)-1-(1H-1,2,3-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-3-bromoaniline

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

0819-1008

Molecular Formula

C16H9BrCl3N5O2 (C16 H9 BrCl3 N5 O2)

Compound Name

N-[(1E)-1-(1H-1,2,3-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-3-bromoaniline

IUPAC name

N-[(1E)-1-(1H-123-benzotriazol-1-yl)-344-trichloro-2-nitrobuta-13-dien-1-yl]-3-bromoaniline

SMILES

[O-][N+](/C(/C(Cl)=C(Cl)Cl)=C(\Nc1cccc(Br)c1)/n1nnc2c1cccc2)=O

InChI

InChI=1S/C16H9BrCl3N5O2/c17-9-4-3-5-10(8-9)21-16(14(25(26)27)13(18)15(19)20)24-12-7-2-1-6-11(12)22-23-24/h1-8,21H

InChI Key

QPHBKQOEZSZLLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.54

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

5.876

Distribution Coefficient, logD

4.626

Water Solubility, LogSw

-6.21

Polar Surface Area

67.144

Acid Dissociation Constant (pKa)

6.18

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 0819-1008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0819-1008?
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What is the minimum amount of 0819-1008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0819-1008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0819-1008
  • 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 0819-1008 available by request