K953-0395 Screening compound: N-(2,5-diethoxyphenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

K953-0395 Screening compound: N-(2,5-diethoxyphenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide
K953-0395 Screening compound: N-(2,5-diethoxyphenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K953-0395
N-(2,5-diethoxyphenyl)-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

K953-0395

Molecular Formula

C20H22N2O4S (C20 H22 N2 O4 S)

Compound Name

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

IUPAC name

N-(25-diethoxyphenyl)-3-(2-sulfanylidene-23-dihydro-13-benzoxazol-3-yl)propanamide

SMILES

CCOc(cc1)cc(NC(CCN(c(cccc2)c2O2)C2=S)=O)c1OCC

InChI

InChI=1S/C20H22N2O4S/c1-3-24-14-9-10-17(25-4-2)15(13-14)21-19(23)11-12-22-16-7-5-6-8-18(16)26-20(22)27/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23)

InChI Key

WKJLCPRNWICSRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.794

Distribution Coefficient, logD

3.791

Water Solubility, LogSw

-3.96

Polar Surface Area

46.639

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

K953-0395 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K953-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K953-0395?
Check Price and Availability of K953-0395, 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 K953-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K953-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K953-0395
  • 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 K953-0395 available by request