J006-2735 Screening compound: 5-(1-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-3-(propan-2-yl)-1,2-oxazole

J006-2735 Screening compound: 5-(1-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-3-(propan-2-yl)-1,2-oxazole
J006-2735 Screening compound: 5-(1-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-3-(propan-2-yl)-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-2735
5-(1-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-3-(propan-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

J006-2735

Molecular Formula

C21H26N4O2 (C21 H26 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1noc(C2N(Cc3c[nH]nc3-c3cc(OC)ccc3)CCC2)c1

InChI

InChI=1S/C21H26N4O2/c1-14(2)18-11-20(27-24-18)19-8-5-9-25(19)13-16-12-22-23-21(16)15-6-4-7-17(10-15)26-3/h4,6-7,10-12,14,19H,5,8-9,13H2,1-3H3,(H,22,23)/t19-/m0/s1

InChI Key

SCTVSFLZPJVFMB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27215869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.021

Distribution Coefficient, logD

-0.373

Water Solubility, LogSw

-4.12

Polar Surface Area

57.466

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

11.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

J006-2735 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J006-2735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-2735?
Check Price and Availability of J006-2735, 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 J006-2735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-2735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-2735
  • 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 J006-2735 available by request