L269-0035 Screening compound: 3-{[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-1,2-benzoxazole

L269-0035 Screening compound: 3-{[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-1,2-benzoxazole
L269-0035 Screening compound: 3-{[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-1,2-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L269-0035
3-{[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-1,2-benzoxazole

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

L269-0035

Molecular Formula

C17H17N3O2S (C17 H17 N3 O2 S)

Compound Name

3-{[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-1,2-benzoxazole

IUPAC name

3-{[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-12-benzoxazole

SMILES

O=C(c1cccs1)N1CCN(Cc2noc3c2cccc3)CC1

InChI

InChI=1S/C17H17N3O2S/c21-17(16-6-3-11-23-16)20-9-7-19(8-10-20)12-14-13-4-1-2-5-15(13)22-18-14/h1-6,11H,7-10,12H2

InChI Key

OTUQCHDALJWHSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15122222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.640

Distribution Coefficient, logD

2.638

Water Solubility, LogSw

-2.79

Polar Surface Area

44.140

Acid Dissociation Constant (pKa)

29.08

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

L269-0035 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L269-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L269-0035?
Check Price and Availability of L269-0035, 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 L269-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L269-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L269-0035
  • 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 L269-0035 available by request