C534-0280 Screening compound: N-[3-(morpholin-4-yl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

C534-0280 Screening compound: N-[3-(morpholin-4-yl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
C534-0280 Screening compound: N-[3-(morpholin-4-yl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C534-0280
N-[3-(morpholin-4-yl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-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

C534-0280

Molecular Formula

C21H30N4O7S (C21 H30 N4 O7 S)

Compound Name

N-[3-(morpholin-4-yl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

IUPAC name

N-[3-(morpholin-4-yl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]acetamide

SMILES

O=C(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2OCC1=O)NCCCN1CCOCC1

InChI

InChI=1S/C21H30N4O7S/c26-20(22-4-1-5-23-6-10-30-11-7-23)15-25-18-14-17(2-3-19(18)32-16-21(25)27)33(28,29)24-8-12-31-13-9-24/h2-3,14H,1,4-13,15-16H2,(H,22,26)

InChI Key

WLJKOOFGHUSCOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.800

Distribution Coefficient, logD

-1.224

Water Solubility, LogSw

-2.35

Polar Surface Area

99.892

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

C534-0280 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C534-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C534-0280?
Check Price and Availability of C534-0280, 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 C534-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C534-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C534-0280
  • 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 C534-0280 available by request