5311-0248 Screening compound: 1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(cyclohexylsulfanyl)ethan-1-one

5311-0248 Screening compound: 1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(cyclohexylsulfanyl)ethan-1-one
5311-0248 Screening compound: 1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(cyclohexylsulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5311-0248
1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(cyclohexylsulfanyl)ethan-1-one

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

5311-0248

Molecular Formula

C24H27BrN2O2S (C24 H27 BrN2 O2 S)

Compound Name

1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(cyclohexylsulfanyl)ethan-1-one

IUPAC name

1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-(cyclohexylsulfanyl)ethan-1-one

SMILES

COc1ccc(C(C2)N(C(CSC3CCCCC3)=O)N=C2c(cc2)ccc2Br)cc1

InChI

InChI=1S/C24H27BrN2O2S/c1-29-20-13-9-18(10-14-20)23-15-22(17-7-11-19(25)12-8-17)26-27(23)24(28)16-30-21-5-3-2-4-6-21/h7-14,21,23H,2-6,15-16H2,1H3/t23-/m1/s1

InChI Key

GHLVMFFSDMOPKW-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD04423040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.830

Distribution Coefficient, logD

6.830

Water Solubility, LogSw

-5.57

Polar Surface Area

34.323

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

5311-0248 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 5311-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5311-0248?
Check Price and Availability of 5311-0248, 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 5311-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5311-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5311-0248
  • 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 5311-0248 available by request