3335-0246 Screening compound: 3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1-(3,4,5-trimethoxybenzoyl)-1H-pyrazole

3335-0246 Screening compound: 3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1-(3,4,5-trimethoxybenzoyl)-1H-pyrazole
3335-0246 Screening compound: 3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1-(3,4,5-trimethoxybenzoyl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-0246
3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1-(3,4,5-trimethoxybenzoyl)-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

3335-0246

Molecular Formula

C21H21N3O6S (C21 H21 N3 O6 S)

Compound Name

3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1-(3,4,5-trimethoxybenzoyl)-1H-pyrazole

IUPAC name

35-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1-(345-trimethoxybenzoyl)-1H-pyrazole

SMILES

Cc(n(C(c(cc1OC)cc(OC)c1OC)=O)nc1C)c1Sc(cccc1)c1[N+]([O-])=O

InChI

InChI=1S/C21H21N3O6S/c1-12-20(31-18-9-7-6-8-15(18)24(26)27)13(2)23(22-12)21(25)14-10-16(28-3)19(30-5)17(11-14)29-4/h6-11H,1-5H3

InChI Key

CTCOAJOTESPMSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02074314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.110

Distribution Coefficient, logD

3.110

Water Solubility, LogSw

-3.56

Polar Surface Area

83.639

Acid Dissociation Constant (pKa)

27.63

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

3335-0246 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 3335-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-0246?
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What is the minimum amount of 3335-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-0246
  • 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 3335-0246 available by request