C759-0650 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide

C759-0650 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide
C759-0650 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C759-0650
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-chloro-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

C759-0650

Molecular Formula

C18H15ClN2O5 (C18 H15 ClN2 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-(6-chloro-3-oxo-34-dihydro-2H-14-benzoxazin-2-yl)acetamide

SMILES

O=C(CC1Oc(ccc(Cl)c2)c2NC1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C18H15ClN2O5/c19-11-2-4-13-12(6-11)21-18(23)16(26-13)7-17(22)20-8-10-1-3-14-15(5-10)25-9-24-14/h1-6,16H,7-9H2,(H,20,22)(H,21,23)

InChI Key

OYOWSDZEEULXGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.78

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.474

Distribution Coefficient, logD

2.473

Water Solubility, LogSw

-3.25

Polar Surface Area

74.357

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

C759-0650 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C759-0650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C759-0650?
Check Price and Availability of C759-0650, 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 C759-0650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C759-0650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C759-0650
  • 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 C759-0650 available by request