C648-0763 Screening compound: 6-[(4-{[1,4'-bipiperidine]-1'-carbonyl}piperidin-1-yl)sulfonyl]-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

C648-0763 Screening compound: 6-[(4-{[1,4'-bipiperidine]-1'-carbonyl}piperidin-1-yl)sulfonyl]-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one
C648-0763 Screening compound: 6-[(4-{[1,4'-bipiperidine]-1'-carbonyl}piperidin-1-yl)sulfonyl]-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C648-0763
6-[(4-{[1,4'-bipiperidine]-1'-carbonyl}piperidin-1-yl)sulfonyl]-3-methyl-2,3-dihydro-1,3-benzoxazol-2-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

C648-0763

Molecular Formula

C24H34N4O5S (C24 H34 N4 O5 S)

Compound Name

6-[(4-{[1,4'-bipiperidine]-1'-carbonyl}piperidin-1-yl)sulfonyl]-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

6-[(4-{[14'-bipiperidine]-1'-carbonyl}piperidin-1-yl)sulfonyl]-3-methyl-23-dihydro-13-benzoxazol-2-one

SMILES

CN(c(ccc(S(N(CC1)CCC1C(N(CC1)CCC1N1CCCCC1)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C24H34N4O5S/c1-25-21-6-5-20(17-22(21)33-24(25)30)34(31,32)28-15-7-18(8-16-28)23(29)27-13-9-19(10-14-27)26-11-3-2-4-12-26/h5-6,17-19H,2-4,7-16H2,1H3

InChI Key

HZONTNACZIMLIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14779330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.031

Distribution Coefficient, logD

-1.525

Water Solubility, LogSw

-2.82

Polar Surface Area

74.557

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

10.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

C648-0763 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C648-0763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C648-0763?
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What is the minimum amount of C648-0763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C648-0763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C648-0763
  • 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 C648-0763 available by request