L269-0043 Screening compound: 1-{4-[(1,2-benzoxazol-3-yl)methyl]piperazin-1-yl}-2-ethylbutan-1-one

L269-0043 Screening compound: 1-{4-[(1,2-benzoxazol-3-yl)methyl]piperazin-1-yl}-2-ethylbutan-1-one
L269-0043 Screening compound: 1-{4-[(1,2-benzoxazol-3-yl)methyl]piperazin-1-yl}-2-ethylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L269-0043
1-{4-[(1,2-benzoxazol-3-yl)methyl]piperazin-1-yl}-2-ethylbutan-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

L269-0043

Molecular Formula

C18H25N3O2 (C18 H25 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(CC)C(N1CCN(Cc2noc3c2cccc3)CC1)=O

InChI

InChI=1S/C18H25N3O2/c1-3-14(4-2)18(22)21-11-9-20(10-12-21)13-16-15-7-5-6-8-17(15)23-19-16/h5-8,14H,3-4,9-13H2,1-2H3

InChI Key

BDQWTKIVBMXOOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15122226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.056

Distribution Coefficient, logD

3.051

Water Solubility, LogSw

-2.92

Polar Surface Area

43.393

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

L269-0043 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with L269-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L269-0043?
Check Price and Availability of L269-0043, 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 L269-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L269-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L269-0043
  • 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 L269-0043 available by request