C648-0831 Screening compound: 1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

C648-0831 Screening compound: 1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
C648-0831 Screening compound: 1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C648-0831
1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-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

C648-0831

Molecular Formula

C21H20F3N3O6S (C21 H20 F3 N3 O6 S)

Compound Name

1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

IUPAC name

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

SMILES

CN(c(ccc(S(N(CC1)CCC1C(Nc(cc1)ccc1OC(F)(F)F)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C21H20F3N3O6S/c1-26-17-7-6-16(12-18(17)32-20(26)29)34(30,31)27-10-8-13(9-11-27)19(28)25-14-2-4-15(5-3-14)33-21(22,23)24/h2-7,12-13H,8-11H2,1H3,(H,25,28)

InChI Key

ZUGYDDKFHSKEQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14779353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.271

Distribution Coefficient, logD

3.271

Water Solubility, LogSw

-3.88

Polar Surface Area

83.843

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C648-0831 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C648-0831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C648-0831?
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What is the minimum amount of C648-0831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C648-0831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C648-0831
  • 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 C648-0831 available by request