0663-0814 Screening compound: 1-benzoyl-3-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole

0663-0814 Screening compound: 1-benzoyl-3-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole
0663-0814 Screening compound: 1-benzoyl-3-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0663-0814
1-benzoyl-3-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-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

0663-0814

Molecular Formula

C24H21BrN2O3 (C24 H21 BrN2 O3)

Compound Name

1-benzoyl-3-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole

IUPAC name

1-benzoyl-3-(4-bromophenyl)-5-(34-dimethoxyphenyl)-45-dihydro-1H-pyrazole

SMILES

COc(ccc(C(C1)N(C(c2ccccc2)=O)N=C1c(cc1)ccc1Br)c1)c1OC

InChI

InChI=1S/C24H21BrN2O3/c1-29-22-13-10-18(14-23(22)30-2)21-15-20(16-8-11-19(25)12-9-16)26-27(21)24(28)17-6-4-3-5-7-17/h3-14,21H,15H2,1-2H3/t21-/m1/s1

InChI Key

OENFSCKWUGZKGH-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD04405969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.465

Distribution Coefficient, logD

5.465

Water Solubility, LogSw

-5.64

Polar Surface Area

42.375

Acid Dissociation Constant (pKa)

18.12

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

0663-0814 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0663-0814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0663-0814?
Check Price and Availability of 0663-0814, 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 0663-0814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0663-0814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0663-0814
  • 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 0663-0814 available by request