C648-0927 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide

C648-0927 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide
C648-0927 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C648-0927
N-{[4-(dimethylamino)phenyl]methyl}-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]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

C648-0927

Molecular Formula

C23H28N4O5S (C23 H28 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C)c1ccc(CNC(C(CC2)CCN2S(c(cc2)cc(O3)c2N(C)C3=O)(=O)=O)=O)cc1

InChI

InChI=1S/C23H28N4O5S/c1-25(2)18-6-4-16(5-7-18)15-24-22(28)17-10-12-27(13-11-17)33(30,31)19-8-9-20-21(14-19)32-23(29)26(20)3/h4-9,14,17H,10-13,15H2,1-3H3,(H,24,28)

InChI Key

LYGZZZZSKMXLEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14779374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.859

Distribution Coefficient, logD

1.844

Water Solubility, LogSw

-2.75

Polar Surface Area

82.033

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C648-0927 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C648-0927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C648-0927?
Check Price and Availability of C648-0927, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C648-0927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C648-0927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C648-0927
  • 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 C648-0927 available by request