C660-1592 Screening compound: (1Z)-1-(4-bromophenyl)-2-nitroethanone oxime

C660-1592 Screening compound: (1Z)-1-(4-bromophenyl)-2-nitroethanone oxime
C660-1592 Screening compound: (1Z)-1-(4-bromophenyl)-2-nitroethanone oxime alternative view

Chemical Structure Depiction of ChemDiv screening compound C660-1592
(1Z)-1-(4-bromophenyl)-2-nitroethanone oxime

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

C660-1592

Molecular Formula

C8H7BrN2O3 (C8 H7 BrN2 O3)

Compound Name

(1Z)-1-(4-bromophenyl)-2-nitroethanone oxime

IUPAC name

(Z)-N-[1-(4-bromophenyl)-2-nitroethylidene]hydroxylamine

SMILES

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

InChI

InChI=1S/C8H7BrN2O3/c9-7-3-1-6(2-4-7)8(10-12)5-11(13)14/h1-4,12H,5H2

InChI Key

YHLYSKJHLSDJME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.06

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.769

Distribution Coefficient, logD

1.122

Water Solubility, LogSw

-2.06

Polar Surface Area

67.391

Acid Dissociation Constant (pKa)

6.86

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C660-1592 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C660-1592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C660-1592?
Check Price and Availability of C660-1592, 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 C660-1592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C660-1592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C660-1592
  • 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 C660-1592 available by request