C327-0246 Screening compound: N-{3-[1-(3-methoxybenzoyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide

C327-0246 Screening compound: N-{3-[1-(3-methoxybenzoyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
C327-0246 Screening compound: N-{3-[1-(3-methoxybenzoyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C327-0246
N-{3-[1-(3-methoxybenzoyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide

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

C327-0246

Molecular Formula

C22H21N3O4S2 (C22 H21 N3 O4 S2)

Compound Name

N-{3-[1-(3-methoxybenzoyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide

IUPAC name

N-{3-[1-(3-methoxybenzoyl)-5-(thiophen-2-yl)-45-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide

SMILES

COc1cccc(C(N(C(C2)c3cccs3)N=C2c2cccc(NS(C)(=O)=O)c2)=O)c1

InChI

InChI=1S/C22H21N3O4S2/c1-29-18-9-4-7-16(13-18)22(26)25-20(21-10-5-11-30-21)14-19(23-25)15-6-3-8-17(12-15)24-31(2,27)28/h3-13,20,24H,14H2,1-2H3/t20-/m1/s1

InChI Key

YNRPZGDCJRBHGO-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD04463762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.878

Distribution Coefficient, logD

3.855

Water Solubility, LogSw

-4.15

Polar Surface Area

77.544

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

C327-0246 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 C327-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C327-0246?
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What is the minimum amount of C327-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C327-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C327-0246
  • 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 C327-0246 available by request