3339-2397 Screening compound: 3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1-(4-methylbenzenesulfonyl)-4,5-dihydro-1H-pyrazole

3339-2397 Screening compound: 3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1-(4-methylbenzenesulfonyl)-4,5-dihydro-1H-pyrazole
3339-2397 Screening compound: 3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1-(4-methylbenzenesulfonyl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3339-2397
3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1-(4-methylbenzenesulfonyl)-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

3339-2397

Molecular Formula

C23H21ClN2O3S (C23 H21 ClN2 O3 S)

Compound Name

3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1-(4-methylbenzenesulfonyl)-4,5-dihydro-1H-pyrazole

IUPAC name

3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1-(4-methylbenzenesulfonyl)-45-dihydro-1H-pyrazole

SMILES

Cc(cc1)ccc1S(N(C(C1)c(cccc2)c2OC)N=C1c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C23H21ClN2O3S/c1-16-7-13-19(14-8-16)30(27,28)26-22(20-5-3-4-6-23(20)29-2)15-21(25-26)17-9-11-18(24)12-10-17/h3-14,22H,15H2,1-2H3/t22-/m1/s1

InChI Key

ACLQNVLCZDOYTJ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04416296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.110

Distribution Coefficient, logD

6.110

Water Solubility, LogSw

-6.32

Polar Surface Area

49.982

Acid Dissociation Constant (pKa)

16.61

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

3339-2397 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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

References: we are preparing a list of scientific research reports with 3339-2397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3339-2397?
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What is the minimum amount of 3339-2397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3339-2397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3339-2397
  • 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 3339-2397 available by request