2085-0042 Screening compound: 1-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole

2085-0042 Screening compound: 1-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole
2085-0042 Screening compound: 1-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2085-0042
1-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole

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

2085-0042

Molecular Formula

C23H18ClN3O4 (C23 H18 ClN3 O4)

Compound Name

1-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole

IUPAC name

1-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-5-(3-nitrophenyl)-45-dihydro-1H-pyrazole

SMILES

COc(cc1)ccc1C(CC1c2cc([N+]([O-])=O)ccc2)=NN1C(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C23H18ClN3O4/c1-31-20-11-7-15(8-12-20)21-14-22(17-3-2-4-19(13-17)27(29)30)26(25-21)23(28)16-5-9-18(24)10-6-16/h2-13,22H,14H2,1H3/t22-/m0/s1

InChI Key

HBFBKNZFTYOENN-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01537372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.523

Distribution Coefficient, logD

5.523

Water Solubility, LogSw

-6.20

Polar Surface Area

68.040

Acid Dissociation Constant (pKa)

18.12

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

2085-0042 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Aurora A-B Kinases Targeted Library (9426 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
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2085-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2085-0042?
Check Price and Availability of 2085-0042, 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 2085-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2085-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2085-0042
  • 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 2085-0042 available by request