J006-0779 Screening compound: 5-methyl-3-(1-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-1,2-oxazole

J006-0779 Screening compound: 5-methyl-3-(1-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-1,2-oxazole
J006-0779 Screening compound: 5-methyl-3-(1-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-0779
5-methyl-3-(1-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-1,2-oxazole

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

J006-0779

Molecular Formula

C16H18N4OS (C16 H18 N4 OS)

Compound Name

5-methyl-3-(1-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-1,2-oxazole

IUPAC name

5-methyl-3-(1-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-12-oxazole

SMILES

Cc1cc(C2N(Cc3c[nH]nc3-c3cccs3)CCC2)no1

InChI

InChI=1S/C16H18N4OS/c1-11-8-13(19-21-11)14-4-2-6-20(14)10-12-9-17-18-16(12)15-5-3-7-22-15/h3,5,7-9,14H,2,4,6,10H2,1H3,(H,17,18)/t14-/m0/s1

InChI Key

FETYNDDTAROKOG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15077871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.005

Distribution Coefficient, logD

0.628

Water Solubility, LogSw

-3.16

Polar Surface Area

50.362

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

9.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

J006-0779 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with J006-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-0779?
Check Price and Availability of J006-0779, 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 J006-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-0779
  • 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 J006-0779 available by request