L995-0128 Screening compound: 1'-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}-1,4'-bipiperidine

L995-0128 Screening compound: 1'-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}-1,4'-bipiperidine
L995-0128 Screening compound: 1'-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}-1,4'-bipiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound L995-0128
1'-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}-1,4'-bipiperidine

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

L995-0128

Molecular Formula

C22H30N4O4S (C22 H30 N4 O4 S)

Compound Name

1'-{[3-(pyrrolidine-1-carbonyl)-1,2-benzoxazol-5-yl]sulfonyl}-1,4'-bipiperidine

IUPAC name

1'-{[3-(pyrrolidine-1-carbonyl)-12-benzoxazol-5-yl]sulfonyl}-14'-bipiperidine

SMILES

O=C(c1noc(cc2)c1cc2S(N(CC1)CCC1N1CCCCC1)(=O)=O)N1CCCC1

InChI

InChI=1S/C22H30N4O4S/c27-22(25-12-4-5-13-25)21-19-16-18(6-7-20(19)30-23-21)31(28,29)26-14-8-17(9-15-26)24-10-2-1-3-11-24/h6-7,16-17H,1-5,8-15H2

InChI Key

LSWRKKOIJHNVKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27491305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.776

Distribution Coefficient, logD

0.517

Water Solubility, LogSw

-3.25

Polar Surface Area

74.256

Acid Dissociation Constant (pKa)

28.06

Base Dissociation Constant (pKb)

9.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

L995-0128 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L995-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L995-0128?
Check Price and Availability of L995-0128, 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 L995-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L995-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L995-0128
  • 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 L995-0128 available by request