E511-0664 Screening compound: 3-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide

E511-0664 Screening compound: 3-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
E511-0664 Screening compound: 3-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-0664
3-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide

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

E511-0664

Molecular Formula

C15H15ClN4O5S3 (C15 H15 ClN4 O5 S3)

Compound Name

3-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide

IUPAC name

3-[(6-chloro-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)sulfonyl]-N-[5-(ethylsulfanyl)-134-thiadiazol-2-yl]propanamide

SMILES

CCSc1nnc(NC(CCS(c(cc(c(N2)c3)OCC2=O)c3Cl)(=O)=O)=O)s1

InChI

InChI=1S/C15H15ClN4O5S3/c1-2-26-15-20-19-14(27-15)18-12(21)3-4-28(23,24)11-6-10-9(5-8(11)16)17-13(22)7-25-10/h5-6H,2-4,7H2,1H3,(H,17,22)(H,18,19,21)

InChI Key

JQPAXOCDTYXZCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27599000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.96

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.172

Distribution Coefficient, logD

2.148

Water Solubility, LogSw

-3.24

Polar Surface Area

108.329

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E511-0664 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E511-0664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-0664?
Check Price and Availability of E511-0664, 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 E511-0664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-0664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-0664
  • 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 E511-0664 available by request