C648-0184 Screening compound: N-(3-chloro-4-methoxyphenyl)-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

C648-0184 Screening compound: N-(3-chloro-4-methoxyphenyl)-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
C648-0184 Screening compound: N-(3-chloro-4-methoxyphenyl)-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 C648-0184
N-(3-chloro-4-methoxyphenyl)-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

C648-0184

Molecular Formula

C21H22ClN3O6S (C21 H22 ClN3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(S(N(CCC1)CC1C(Nc(cc1)cc(Cl)c1OC)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C21H22ClN3O6S/c1-24-17-7-6-15(11-19(17)31-21(24)27)32(28,29)25-9-3-4-13(12-25)20(26)23-14-5-8-18(30-2)16(22)10-14/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,23,26)/t13-/m0/s1

InChI Key

KLPWOIOFALUPIS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14779185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.94

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.507

Distribution Coefficient, logD

2.501

Water Solubility, LogSw

-3.54

Polar Surface Area

85.470

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C648-0184 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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 C648-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C648-0184?
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What is the minimum amount of C648-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C648-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C648-0184
  • 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 C648-0184 available by request