E511-0529 Screening compound: N-benzyl-3-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-methylpropanamide

E511-0529 Screening compound: N-benzyl-3-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-methylpropanamide
E511-0529 Screening compound: N-benzyl-3-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-0529
N-benzyl-3-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-methylpropanamide

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

E511-0529

Molecular Formula

C19H19ClN2O5S (C19 H19 ClN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CN(Cc1ccccc1)C(CCS(c(cc(c(N1)c2)OCC1=O)c2Cl)(=O)=O)=O

InChI

InChI=1S/C19H19ClN2O5S/c1-22(11-13-5-3-2-4-6-13)19(24)7-8-28(25,26)17-10-16-15(9-14(17)20)21-18(23)12-27-16/h2-6,9-10H,7-8,11-12H2,1H3,(H,21,23)

InChI Key

LSRVQRVKYVUOBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.064

Distribution Coefficient, logD

2.043

Water Solubility, LogSw

-3.09

Polar Surface Area

78.168

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

E511-0529 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with E511-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-0529?
Check Price and Availability of E511-0529, 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 E511-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-0529
  • 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 E511-0529 available by request