L269-0087 Screening compound: 3-({4-[1-(pyrrolidine-1-sulfonyl)piperidine-4-carbonyl]piperazin-1-yl}methyl)-1,2-benzoxazole

L269-0087 Screening compound: 3-({4-[1-(pyrrolidine-1-sulfonyl)piperidine-4-carbonyl]piperazin-1-yl}methyl)-1,2-benzoxazole
L269-0087 Screening compound: 3-({4-[1-(pyrrolidine-1-sulfonyl)piperidine-4-carbonyl]piperazin-1-yl}methyl)-1,2-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L269-0087
3-({4-[1-(pyrrolidine-1-sulfonyl)piperidine-4-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

L269-0087

Molecular Formula

C22H31N5O4S (C22 H31 N5 O4 S)

Compound Name

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

IUPAC name

3-({4-[1-(pyrrolidine-1-sulfonyl)piperidine-4-carbonyl]piperazin-1-yl}methyl)-12-benzoxazole

SMILES

O=C(C(CC1)CCN1S(N1CCCC1)(=O)=O)N1CCN(Cc2noc3c2cccc3)CC1

InChI

InChI=1S/C22H31N5O4S/c28-22(18-7-11-27(12-8-18)32(29,30)26-9-3-4-10-26)25-15-13-24(14-16-25)17-20-19-5-1-2-6-21(19)31-23-20/h1-2,5-6,18H,3-4,7-17H2

InChI Key

CCFXQBCLHBKEQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15122242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.437

Distribution Coefficient, logD

1.433

Water Solubility, LogSw

-2.36

Polar Surface Area

77.604

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

L269-0087 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L269-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L269-0087?
Check Price and Availability of L269-0087, 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 L269-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L269-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L269-0087
  • 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 L269-0087 available by request