K869-0250 Screening compound: N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

K869-0250 Screening compound: N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide
K869-0250 Screening compound: N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K869-0250
N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-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

K869-0250

Molecular Formula

C24H19N3O4S (C24 H19 N3 O4 S)

Compound Name

N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

IUPAC name

N-[3-hydroxy-4-(5-methyl-13-benzoxazol-2-yl)phenyl]-3-(2-sulfanylidene-23-dihydro-13-benzoxazol-3-yl)propanamide

SMILES

Cc(cc1)cc2c1oc(-c(ccc(NC(CCN(c(cccc1)c1O1)C1=S)=O)c1)c1O)n2

InChI

InChI=1S/C24H19N3O4S/c1-14-6-9-20-17(12-14)26-23(30-20)16-8-7-15(13-19(16)28)25-22(29)10-11-27-18-4-2-3-5-21(18)31-24(27)32/h2-9,12-13,28H,10-11H2,1H3,(H,25,29)

InChI Key

USRMUCMLVVELEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15110879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.084

Distribution Coefficient, logD

5.081

Water Solubility, LogSw

-4.56

Polar Surface Area

66.361

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

K869-0250 in Drug Discovery

Included in Screening Libraries

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

Hsp90-Targeted Library (11355 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K869-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K869-0250?
Check Price and Availability of K869-0250, 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 K869-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K869-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K869-0250
  • 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 K869-0250 available by request