0646-0014 Screening compound: 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzaldehyde

0646-0014 Screening compound: 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzaldehyde
0646-0014 Screening compound: 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 0646-0014
4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzaldehyde

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

0646-0014

Molecular Formula

C16H13ClN2O (C16 H13 ClN2 O)

Compound Name

4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzaldehyde

IUPAC name

4-[3-(4-chlorophenyl)-45-dihydro-1H-pyrazol-1-yl]benzaldehyde

SMILES

O=Cc(cc1)ccc1N(CC1)N=C1c(cc1)ccc1Cl

InChI

InChI=1S/C16H13ClN2O/c17-14-5-3-13(4-6-14)16-9-10-19(18-16)15-7-1-12(11-20)2-8-15/h1-8,11H,9-10H2

InChI Key

CPLIMUMGOIMOSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00491120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.74

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.838

Distribution Coefficient, logD

3.837

Water Solubility, LogSw

-4.81

Polar Surface Area

29.362

Acid Dissociation Constant (pKa)

21.44

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0646-0014 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0646-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0646-0014?
Check Price and Availability of 0646-0014, 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 0646-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0646-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0646-0014
  • 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 0646-0014 available by request