C648-0160 Screening compound: N-(4-fluorobenzyl)-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-3-piperidinecarboxamide

C648-0160 Screening compound: N-(4-fluorobenzyl)-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-3-piperidinecarboxamide
C648-0160 Screening compound: N-(4-fluorobenzyl)-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C648-0160
N-(4-fluorobenzyl)-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-3-piperidinecarboxamide

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

C648-0160

Molecular Formula

C21H22FN3O5S (C21 H22 FN3 O5 S)

Compound Name

N-(4-fluorobenzyl)-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-3-piperidinecarboxamide

IUPAC name

N-[(4-fluorophenyl)methyl]-1-[(3-methyl-2-oxo-23-dihydro-13-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

SMILES

CN(c(ccc(S(N(CCC1)CC1C(NCc(cc1)ccc1F)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C21H22FN3O5S/c1-24-18-9-8-17(11-19(18)30-21(24)27)31(28,29)25-10-2-3-15(13-25)20(26)23-12-14-4-6-16(22)7-5-14/h4-9,11,15H,2-3,10,12-13H2,1H3,(H,23,26)/t15-/m0/s1

InChI Key

QHYPVPHQYRVIBU-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14779170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.714

Distribution Coefficient, logD

1.714

Water Solubility, LogSw

-2.70

Polar Surface Area

79.162

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

C648-0160 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C648-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C648-0160?
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What is the minimum amount of C648-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C648-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C648-0160
  • 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 C648-0160 available by request