2516-1820 Screening compound: 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1-(3-nitrobenzoyl)-4,5-dihydro-1H-pyrazole

2516-1820 Screening compound: 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1-(3-nitrobenzoyl)-4,5-dihydro-1H-pyrazole
2516-1820 Screening compound: 5-(4-bromophenyl)-3-(4-methoxyphenyl)-1-(3-nitrobenzoyl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2516-1820
5-(4-bromophenyl)-3-(4-methoxyphenyl)-1-(3-nitrobenzoyl)-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

2516-1820

Molecular Formula

C23H18BrN3O4 (C23 H18 BrN3 O4)

Compound Name

5-(4-bromophenyl)-3-(4-methoxyphenyl)-1-(3-nitrobenzoyl)-4,5-dihydro-1H-pyrazole

IUPAC name

5-(4-bromophenyl)-3-(4-methoxyphenyl)-1-(3-nitrobenzoyl)-45-dihydro-1H-pyrazole

SMILES

COc(cc1)ccc1C(CC1c(cc2)ccc2Br)=NN1C(c1cc([N+]([O-])=O)ccc1)=O

InChI

InChI=1S/C23H18BrN3O4/c1-31-20-11-7-15(8-12-20)21-14-22(16-5-9-18(24)10-6-16)26(25-21)23(28)17-3-2-4-19(13-17)27(29)30/h2-13,22H,14H2,1H3/t22-/m0/s1

InChI Key

ZKAFWPFYETZWAH-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01932314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.32

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

5.750

Distribution Coefficient, logD

5.750

Water Solubility, LogSw

-5.59

Polar Surface Area

68.040

Acid Dissociation Constant (pKa)

17.66

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

2516-1820 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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 2516-1820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2516-1820?
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What is the minimum amount of 2516-1820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2516-1820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2516-1820
  • 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 2516-1820 available by request