3072-0008 Screening compound: 5-(4-bromophenyl)-3-(4-methylphenyl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole

3072-0008 Screening compound: 5-(4-bromophenyl)-3-(4-methylphenyl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole
3072-0008 Screening compound: 5-(4-bromophenyl)-3-(4-methylphenyl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3072-0008
5-(4-bromophenyl)-3-(4-methylphenyl)-1-(3,4,5-trimethoxybenzoyl)-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

3072-0008

Molecular Formula

C26H25BrN2O4 (C26 H25 BrN2 O4)

Compound Name

5-(4-bromophenyl)-3-(4-methylphenyl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole

IUPAC name

5-(4-bromophenyl)-3-(4-methylphenyl)-1-(345-trimethoxybenzoyl)-45-dihydro-1H-pyrazole

SMILES

Cc(cc1)ccc1C(CC1c(cc2)ccc2Br)=NN1C(c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C26H25BrN2O4/c1-16-5-7-17(8-6-16)21-15-22(18-9-11-20(27)12-10-18)29(28-21)26(30)19-13-23(31-2)25(33-4)24(14-19)32-3/h5-14,22H,15H2,1-4H3/t22-/m0/s1

InChI Key

WYVUQHIADNOFQM-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02943800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.044

Distribution Coefficient, logD

6.044

Water Solubility, LogSw

-5.50

Polar Surface Area

50.092

Acid Dissociation Constant (pKa)

17.66

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

3072-0008 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 3072-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3072-0008?
Check Price and Availability of 3072-0008, 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 3072-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3072-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3072-0008
  • 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 3072-0008 available by request