4872-0744 Screening compound: (1Z)-1-(1H-1,2,3-benzotriazol-1-yl)-N-(4-bromophenyl)-2-chloro-2-nitroethan-1-imine

4872-0744 Screening compound: (1Z)-1-(1H-1,2,3-benzotriazol-1-yl)-N-(4-bromophenyl)-2-chloro-2-nitroethan-1-imine
4872-0744 Screening compound: (1Z)-1-(1H-1,2,3-benzotriazol-1-yl)-N-(4-bromophenyl)-2-chloro-2-nitroethan-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4872-0744
(1Z)-1-(1H-1,2,3-benzotriazol-1-yl)-N-(4-bromophenyl)-2-chloro-2-nitroethan-1-imine

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

4872-0744

Molecular Formula

C14H9BrClN5O2 (C14 H9 BrClN5 O2)

Compound Name

(1Z)-1-(1H-1,2,3-benzotriazol-1-yl)-N-(4-bromophenyl)-2-chloro-2-nitroethan-1-imine

IUPAC name

(1Z)-1-(1H-123-benzotriazol-1-yl)-N-(4-bromophenyl)-2-chloro-2-nitroethan-1-imine

SMILES

[O-][N+](C(/C(/n1nnc2c1cccc2)=N/c(cc1)ccc1Br)Cl)=O

InChI

InChI=1S/C14H9BrClN5O2/c15-9-5-7-10(8-6-9)17-14(13(16)21(22)23)20-12-4-2-1-3-11(12)18-19-20/h1-8,13H/t13-/m1/s1

InChI Key

GWUXDZKQFVGHIQ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD03827112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.282

Distribution Coefficient, logD

-1.215

Water Solubility, LogSw

-3.41

Polar Surface Area

65.383

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.10

4872-0744 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4872-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4872-0744?
Check Price and Availability of 4872-0744, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4872-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4872-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4872-0744
  • 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 4872-0744 available by request