6313-0060 Screening compound: N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

6313-0060 Screening compound: N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide
6313-0060 Screening compound: N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6313-0060
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

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

6313-0060

Molecular Formula

C21H19N5O5S (C21 H19 N5 O5 S)

Compound Name

N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

IUPAC name

N-{4-[(46-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-(2-oxo-23-dihydro-13-benzoxazol-3-yl)acetamide

SMILES

Cc1nc(NS(c(cc2)ccc2NC(CN(c(cccc2)c2O2)C2=O)=O)(=O)=O)nc(C)c1

InChI

InChI=1S/C21H19N5O5S/c1-13-11-14(2)23-20(22-13)25-32(29,30)16-9-7-15(8-10-16)24-19(27)12-26-17-5-3-4-6-18(17)31-21(26)28/h3-11H,12H2,1-2H3,(H,24,27)(H,22,23,25)

InChI Key

NMAWVIJXVMZHQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04214634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.122

Distribution Coefficient, logD

1.640

Water Solubility, LogSw

-3.06

Polar Surface Area

106.184

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

6313-0060 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Integrin Receptors Targeted library (1715 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 6313-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6313-0060?
Check Price and Availability of 6313-0060, 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 6313-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6313-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6313-0060
  • 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 6313-0060 available by request