8007-4142 Screening compound: 5-(4-chlorophenyl)-3-ethyl-5-hydroxy-4,5-dihydro-1H-pyrazole-1-carbaldehyde

8007-4142 Screening compound: 5-(4-chlorophenyl)-3-ethyl-5-hydroxy-4,5-dihydro-1H-pyrazole-1-carbaldehyde
8007-4142 Screening compound: 5-(4-chlorophenyl)-3-ethyl-5-hydroxy-4,5-dihydro-1H-pyrazole-1-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4142
5-(4-chlorophenyl)-3-ethyl-5-hydroxy-4,5-dihydro-1H-pyrazole-1-carbaldehyde

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

8007-4142

Molecular Formula

C12H13ClN2O2 (C12 H13 ClN2 O2)

Compound Name

5-(4-chlorophenyl)-3-ethyl-5-hydroxy-4,5-dihydro-1H-pyrazole-1-carbaldehyde

IUPAC name

5-(4-chlorophenyl)-3-ethyl-5-hydroxy-45-dihydro-1H-pyrazole-1-carbaldehyde

SMILES

CCC(CC1(c(cc2)ccc2Cl)O)=NN1C=O

InChI

InChI=1S/C12H13ClN2O2/c1-2-11-7-12(17,15(8-16)14-11)9-3-5-10(13)6-4-9/h3-6,8,17H,2,7H2,1H3/t12-/m0/s1

InChI Key

RXSKBTSCYWTZII-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01054960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.7

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.574

Distribution Coefficient, logD

2.574

Water Solubility, LogSw

-2.94

Polar Surface Area

45.573

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

8007-4142 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8007-4142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4142?
Check Price and Availability of 8007-4142, 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 8007-4142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4142
  • 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 8007-4142 available by request