C648-0014 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

C648-0014 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
C648-0014 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C648-0014
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

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

C648-0014

Molecular Formula

C22H29N3O5S (C22 H29 N3 O5 S)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[(3-methyl-2-oxo-23-dihydro-13-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

SMILES

CN(c(ccc(S(N(CCC1)CC1C(NCCC1=CCCCC1)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C22H29N3O5S/c1-24-19-10-9-18(14-20(19)30-22(24)27)31(28,29)25-13-5-8-17(15-25)21(26)23-12-11-16-6-3-2-4-7-16/h6,9-10,14,17H,2-5,7-8,11-13,15H2,1H3,(H,23,26)/t17-/m0/s1

InChI Key

TUPRJFBFIGCQFQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14779096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.229

Distribution Coefficient, logD

2.229

Water Solubility, LogSw

-2.99

Polar Surface Area

79.196

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

C648-0014 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C648-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C648-0014?
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What is the minimum amount of C648-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C648-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C648-0014
  • 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 C648-0014 available by request