3029-0304 Screening compound: 4-[1-(4-chlorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylaniline

3029-0304 Screening compound: 4-[1-(4-chlorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylaniline
3029-0304 Screening compound: 4-[1-(4-chlorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3029-0304
4-[1-(4-chlorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylaniline

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

3029-0304

Molecular Formula

C24H22ClN3O (C24 H22 ClN3 O)

Compound Name

4-[1-(4-chlorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylaniline

IUPAC name

4-[1-(4-chlorobenzoyl)-3-phenyl-45-dihydro-1H-pyrazol-5-yl]-NN-dimethylaniline

SMILES

CN(C)c1ccc(C(C2)N(C(c(cc3)ccc3Cl)=O)N=C2c2ccccc2)cc1

InChI

InChI=1S/C24H22ClN3O/c1-27(2)21-14-10-18(11-15-21)23-16-22(17-6-4-3-5-7-17)26-28(23)24(29)19-8-12-20(25)13-9-19/h3-15,23H,16H2,1-2H3/t23-/m0/s1

InChI Key

VQQZHPLJSKGKRU-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01836182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.91

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.652

Distribution Coefficient, logD

5.648

Water Solubility, LogSw

-6.26

Polar Surface Area

29.919

Acid Dissociation Constant (pKa)

18.12

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

3029-0304 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 3029-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3029-0304?
Check Price and Availability of 3029-0304, 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 3029-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3029-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3029-0304
  • 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 3029-0304 available by request