C759-0215 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide

C759-0215 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide
C759-0215 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C759-0215
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide

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

C759-0215

Molecular Formula

C19H20N2O3S (C19 H20 N2 O3 S)

Compound Name

N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide

IUPAC name

N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(3-oxo-34-dihydro-2H-14-benzoxazin-2-yl)acetamide

SMILES

CSc1ccc(CCNC(CC2Oc(cccc3)c3NC2=O)=O)cc1

InChI

InChI=1S/C19H20N2O3S/c1-25-14-8-6-13(7-9-14)10-11-20-18(22)12-17-19(23)21-15-4-2-3-5-16(15)24-17/h2-9,17H,10-12H2,1H3,(H,20,22)(H,21,23)/t17-/m0/s1

InChI Key

XZRKEHNEFRDYCA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14791780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.555

Distribution Coefficient, logD

2.555

Water Solubility, LogSw

-2.92

Polar Surface Area

57.083

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

C759-0215 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C759-0215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C759-0215?
Check Price and Availability of C759-0215, 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 C759-0215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C759-0215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C759-0215
  • 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 C759-0215 available by request