J006-2726 Screening compound: 5-(1-{[3-(3-bromophenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-3-(propan-2-yl)-1,2-oxazole

J006-2726 Screening compound: 5-(1-{[3-(3-bromophenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-3-(propan-2-yl)-1,2-oxazole
J006-2726 Screening compound: 5-(1-{[3-(3-bromophenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-3-(propan-2-yl)-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-2726
5-(1-{[3-(3-bromophenyl)-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

J006-2726

Molecular Formula

C20H23BrN4O (C20 H23 BrN4 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1noc(C2N(Cc3c[nH]nc3-c3cccc(Br)c3)CCC2)c1

InChI

InChI=1S/C20H23BrN4O/c1-13(2)17-10-19(26-24-17)18-7-4-8-25(18)12-15-11-22-23-20(15)14-5-3-6-16(21)9-14/h3,5-6,9-11,13,18H,4,7-8,12H2,1-2H3,(H,22,23)/t18-/m0/s1

InChI Key

IKHYUIDPXUGYSD-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27215863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.808

Distribution Coefficient, logD

0.414

Water Solubility, LogSw

-4.55

Polar Surface Area

49.922

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

11.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

J006-2726 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

BRD4 Targeted Library (4534 compounds)

CNS BBB Library (22607 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with J006-2726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-2726?
Check Price and Availability of J006-2726, 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 J006-2726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-2726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-2726
  • 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 J006-2726 available by request