J006-2802 Screening compound: N,N-diethyl-4-({2-[3-(propan-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl}methyl)aniline

J006-2802 Screening compound: N,N-diethyl-4-({2-[3-(propan-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl}methyl)aniline
J006-2802 Screening compound: N,N-diethyl-4-({2-[3-(propan-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl}methyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-2802
N,N-diethyl-4-({2-[3-(propan-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl}methyl)aniline

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

J006-2802

Molecular Formula

C21H31N3O (C21 H31 N3 O)

Compound Name

N,N-diethyl-4-({2-[3-(propan-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl}methyl)aniline

IUPAC name

NN-diethyl-4-({2-[3-(propan-2-yl)-12-oxazol-5-yl]pyrrolidin-1-yl}methyl)aniline

SMILES

CCN(CC)c1ccc(CN(CCC2)C2c2cc(C(C)C)no2)cc1

InChI

InChI=1S/C21H31N3O/c1-5-23(6-2)18-11-9-17(10-12-18)15-24-13-7-8-20(24)21-14-19(16(3)4)22-25-21/h9-12,14,16,20H,5-8,13,15H2,1-4H3/t20-/m0/s1

InChI Key

ZWVWQJATFACEDX-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27215912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.573

Distribution Coefficient, logD

1.757

Water Solubility, LogSw

-4.28

Polar Surface Area

28.468

Acid Dissociation Constant (pKa)

24.91

Base Dissociation Constant (pKb)

10.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

J006-2802 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J006-2802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-2802?
Check Price and Availability of J006-2802, 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 J006-2802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-2802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-2802
  • 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 J006-2802 available by request