K953-0504 Screening compound: N-(4-acetamidophenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

K953-0504 Screening compound: N-(4-acetamidophenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide
K953-0504 Screening compound: N-(4-acetamidophenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K953-0504
N-(4-acetamidophenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

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

K953-0504

Molecular Formula

C18H17N3O3S (C18 H17 N3 O3 S)

Compound Name

N-(4-acetamidophenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

IUPAC name

N-(4-acetamidophenyl)-3-(2-sulfanylidene-23-dihydro-13-benzoxazol-3-yl)propanamide

SMILES

CC(Nc(cc1)ccc1NC(CCN(c(cccc1)c1O1)C1=S)=O)=O

InChI

InChI=1S/C18H17N3O3S/c1-12(22)19-13-6-8-14(9-7-13)20-17(23)10-11-21-15-4-2-3-5-16(15)24-18(21)25/h2-9H,10-11H2,1H3,(H,19,22)(H,20,23)

InChI Key

FJVWTPDPZFNFCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.503

Distribution Coefficient, logD

2.503

Water Solubility, LogSw

-2.75

Polar Surface Area

56.264

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K953-0504 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with K953-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K953-0504?
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What is the minimum amount of K953-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K953-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K953-0504
  • 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 K953-0504 available by request