C648-0025 Screening compound: 1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-N-[(pyridin-2-yl)methyl]piperidine-3-carboxamide

C648-0025 Screening compound: 1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-N-[(pyridin-2-yl)methyl]piperidine-3-carboxamide
C648-0025 Screening compound: 1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-N-[(pyridin-2-yl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C648-0025
1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-N-[(pyridin-2-yl)methyl]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

C648-0025

Molecular Formula

C20H22N4O5S (C20 H22 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(S(N(CCC1)CC1C(NCc1ncccc1)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C20H22N4O5S/c1-23-17-8-7-16(11-18(17)29-20(23)26)30(27,28)24-10-4-5-14(13-24)19(25)22-12-15-6-2-3-9-21-15/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3,(H,22,25)/t14-/m0/s1

InChI Key

TXUDDMSTZJPUJB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14779102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

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

0.775

Distribution Coefficient, logD

0.775

Water Solubility, LogSw

-2.48

Polar Surface Area

88.705

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

C648-0025 in Drug Discovery

Included in Screening Libraries

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

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 C648-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C648-0025?
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What is the minimum amount of C648-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C648-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C648-0025
  • 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 C648-0025 available by request