K953-0389 Screening compound: N-(2-fluoro-5-nitrophenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

K953-0389 Screening compound: N-(2-fluoro-5-nitrophenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide
K953-0389 Screening compound: N-(2-fluoro-5-nitrophenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K953-0389
N-(2-fluoro-5-nitrophenyl)-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

K953-0389

Molecular Formula

C16H12FN3O4S (C16 H12 FN3 O4 S)

Compound Name

N-(2-fluoro-5-nitrophenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

IUPAC name

N-(2-fluoro-5-nitrophenyl)-3-(2-sulfanylidene-23-dihydro-13-benzoxazol-3-yl)propanamide

SMILES

[O-][N+](c(cc1)cc(NC(CCN(c(cccc2)c2O2)C2=S)=O)c1F)=O

InChI

InChI=1S/C16H12FN3O4S/c17-11-6-5-10(20(22)23)9-12(11)18-15(21)7-8-19-13-3-1-2-4-14(13)24-16(19)25/h1-6,9H,7-8H2,(H,18,21)

InChI Key

VRIWDJJNAPPXOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.342

Distribution Coefficient, logD

3.045

Water Solubility, LogSw

-3.85

Polar Surface Area

65.686

Acid Dissociation Constant (pKa)

7.41

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

K953-0389 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K953-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K953-0389?
Check Price and Availability of K953-0389, 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 K953-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K953-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K953-0389
  • 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 K953-0389 available by request