C796-0570 Screening compound: (Z)-N-(4-methylphenyl)-2-oxopropanecarbohydrazonoyl bromide

C796-0570 Screening compound: (Z)-N-(4-methylphenyl)-2-oxopropanecarbohydrazonoyl bromide
C796-0570 Screening compound: (Z)-N-(4-methylphenyl)-2-oxopropanecarbohydrazonoyl bromide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0570
(Z)-N-(4-methylphenyl)-2-oxopropanecarbohydrazonoyl bromide

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

C796-0570

Molecular Formula

C10H11BrN2O (C10 H11 BrN2 O)

Compound Name

(Z)-N-(4-methylphenyl)-2-oxopropanecarbohydrazonoyl bromide

IUPAC name

(Z)-N-(4-methylphenyl)-2-oxopropanecarbohydrazonoyl bromide

SMILES

CC(/C(/Br)=N/Nc1ccc(C)cc1)=O

InChI

InChI=1S/C10H11BrN2O/c1-7-3-5-9(6-4-7)12-13-10(11)8(2)14/h3-6,12H,1-2H3

InChI Key

BQOQSYMNYHEDEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.11

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.959

Distribution Coefficient, logD

2.959

Water Solubility, LogSw

-3.22

Polar Surface Area

33.986

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C796-0570 in Drug Discovery

Included in Screening Libraries

Crystallographic and 19F NMR fragment-libraries (624 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C796-0570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0570?
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What is the minimum amount of C796-0570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0570
  • 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 C796-0570 available by request