E511-0593 Screening compound: 3-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-propylpropanamide

E511-0593 Screening compound: 3-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-propylpropanamide
E511-0593 Screening compound: 3-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-propylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-0593
3-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-propylpropanamide

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

E511-0593

Molecular Formula

C14H17ClN2O5S (C14 H17 ClN2 O5 S)

Compound Name

3-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-propylpropanamide

IUPAC name

3-[(6-chloro-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)sulfonyl]-N-propylpropanamide

SMILES

CCCNC(CCS(c(cc(c(N1)c2)OCC1=O)c2Cl)(=O)=O)=O

InChI

InChI=1S/C14H17ClN2O5S/c1-2-4-16-13(18)3-5-23(20,21)12-7-11-10(6-9(12)15)17-14(19)8-22-11/h6-7H,2-5,8H2,1H3,(H,16,18)(H,17,19)

InChI Key

QWETXVKXQXUYNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.82

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.596

Distribution Coefficient, logD

0.574

Water Solubility, LogSw

-2.67

Polar Surface Area

86.858

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

E511-0593 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E511-0593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-0593?
Check Price and Availability of E511-0593, 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 E511-0593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-0593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-0593
  • 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 E511-0593 available by request