K953-0518 Screening compound: N-(4-fluorophenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

K953-0518 Screening compound: N-(4-fluorophenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide
K953-0518 Screening compound: N-(4-fluorophenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K953-0518
N-(4-fluorophenyl)-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

K953-0518

Molecular Formula

C16H13FN2O2S (C16 H13 FN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCN(c(cccc1)c1O1)C1=S)Nc(cc1)ccc1F

InChI

InChI=1S/C16H13FN2O2S/c17-11-5-7-12(8-6-11)18-15(20)9-10-19-13-3-1-2-4-14(13)21-16(19)22/h1-8H,9-10H2,(H,18,20)

InChI Key

HMDDULRXDXWGEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02939759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.331

Distribution Coefficient, logD

3.330

Water Solubility, LogSw

-3.81

Polar Surface Area

33.003

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

K953-0518 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 K953-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K953-0518?
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What is the minimum amount of K953-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K953-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K953-0518
  • 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 K953-0518 available by request