3011-0242 Screening compound: 2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazole

3011-0242 Screening compound: 2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazole
3011-0242 Screening compound: 2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3011-0242
2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazole

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

3011-0242

Molecular Formula

C30H30N4O4S2 (C30 H30 N4 O4 S2)

Compound Name

2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazole

IUPAC name

2-[35-bis(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-13-thiazole

SMILES

COc1ccc(C(C2)N(c3nc(-c(cc4)ccc4S(N4CCCC4)(=O)=O)cs3)N=C2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C30H30N4O4S2/c1-37-24-11-5-21(6-12-24)27-19-29(23-7-13-25(38-2)14-8-23)34(32-27)30-31-28(20-39-30)22-9-15-26(16-10-22)40(35,36)33-17-3-4-18-33/h5-16,20,29H,3-4,17-19H2,1-2H3/t29-/m0/s1

InChI Key

AAKBZBSYJDWOBV-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD00747754

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

574.72

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.025

Distribution Coefficient, logD

7.025

Water Solubility, LogSw

-5.87

Polar Surface Area

70.632

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

3011-0242 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Lipid Metabolism Library (9174 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with 3011-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3011-0242?
Check Price and Availability of 3011-0242, 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 3011-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3011-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3011-0242
  • 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 3011-0242 available by request