L269-0118 Screening compound: 1-{4-[(1,2-benzoxazol-3-yl)methyl]piperazin-1-yl}-2-(3,4-diethoxyphenyl)ethan-1-one

L269-0118 Screening compound: 1-{4-[(1,2-benzoxazol-3-yl)methyl]piperazin-1-yl}-2-(3,4-diethoxyphenyl)ethan-1-one
L269-0118 Screening compound: 1-{4-[(1,2-benzoxazol-3-yl)methyl]piperazin-1-yl}-2-(3,4-diethoxyphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L269-0118
1-{4-[(1,2-benzoxazol-3-yl)methyl]piperazin-1-yl}-2-(3,4-diethoxyphenyl)ethan-1-one

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

L269-0118

Molecular Formula

C24H29N3O4 (C24 H29 N3 O4)

Compound Name

1-{4-[(1,2-benzoxazol-3-yl)methyl]piperazin-1-yl}-2-(3,4-diethoxyphenyl)ethan-1-one

IUPAC name

1-{4-[(12-benzoxazol-3-yl)methyl]piperazin-1-yl}-2-(34-diethoxyphenyl)ethan-1-one

SMILES

CCOc(ccc(CC(N1CCN(Cc2noc3c2cccc3)CC1)=O)c1)c1OCC

InChI

InChI=1S/C24H29N3O4/c1-3-29-22-10-9-18(15-23(22)30-4-2)16-24(28)27-13-11-26(12-14-27)17-20-19-7-5-6-8-21(19)31-25-20/h5-10,15H,3-4,11-14,16-17H2,1-2H3

InChI Key

QFTFIPUXHYWVJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15122256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.892

Distribution Coefficient, logD

2.890

Water Solubility, LogSw

-3.10

Polar Surface Area

57.015

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

L269-0118 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 L269-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L269-0118?
Check Price and Availability of L269-0118, 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 L269-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L269-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L269-0118
  • 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 L269-0118 available by request