J006-0783 Screening compound: 3,5-dimethyl-4-(1-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-1,2-oxazole

J006-0783 Screening compound: 3,5-dimethyl-4-(1-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-1,2-oxazole
J006-0783 Screening compound: 3,5-dimethyl-4-(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 J006-0783
3,5-dimethyl-4-(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

J006-0783

Molecular Formula

C17H20N4OS (C17 H20 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(C)c1C1N(Cc2c[nH]nc2-c2cccs2)CCC1

InChI

InChI=1S/C17H20N4OS/c1-11-16(12(2)22-20-11)14-5-3-7-21(14)10-13-9-18-19-17(13)15-6-4-8-23-15/h4,6,8-9,14H,3,5,7,10H2,1-2H3,(H,18,19)/t14-/m0/s1

InChI Key

BLPSKGPHWJIHQP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15077874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.44

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

2.821

Distribution Coefficient, logD

-0.682

Water Solubility, LogSw

-3.15

Polar Surface Area

51.172

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

10.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

J006-0783 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 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:
  • 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 J006-0783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-0783?
Check Price and Availability of J006-0783, 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 J006-0783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-0783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-0783
  • 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 J006-0783 available by request