J006-1517 Screening compound: 3-{1-[(3-bromophenyl)methyl]pyrrolidin-2-yl}-5-(propan-2-yl)-1,2-oxazole

J006-1517 Screening compound: 3-{1-[(3-bromophenyl)methyl]pyrrolidin-2-yl}-5-(propan-2-yl)-1,2-oxazole
J006-1517 Screening compound: 3-{1-[(3-bromophenyl)methyl]pyrrolidin-2-yl}-5-(propan-2-yl)-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-1517
3-{1-[(3-bromophenyl)methyl]pyrrolidin-2-yl}-5-(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

J006-1517

Molecular Formula

C17H21BrN2O (C17 H21 BrN2 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1cc(C2N(Cc3cccc(Br)c3)CCC2)no1

InChI

InChI=1S/C17H21BrN2O/c1-12(2)17-10-15(19-21-17)16-7-4-8-20(16)11-13-5-3-6-14(18)9-13/h3,5-6,9-10,12,16H,4,7-8,11H2,1-2H3/t16-/m0/s1

InChI Key

BCNKANBLTSESOX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27215630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.493

Distribution Coefficient, logD

2.363

Water Solubility, LogSw

-4.29

Polar Surface Area

25.732

Acid Dissociation Constant (pKa)

24.20

Base Dissociation Constant (pKb)

9.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

J006-1517 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with J006-1517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-1517?
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What is the minimum amount of J006-1517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-1517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-1517
  • 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 J006-1517 available by request