E511-0665 Screening compound: 6-chloro-7-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

E511-0665 Screening compound: 6-chloro-7-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
E511-0665 Screening compound: 6-chloro-7-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-0665
6-chloro-7-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

E511-0665

Molecular Formula

C21H21ClFN3O5S (C21 H21 ClFN3 O5 S)

Compound Name

6-chloro-7-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-chloro-7-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(CCS(c(cc(c(N1)c2)OCC1=O)c2Cl)(=O)=O)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C21H21ClFN3O5S/c22-14-11-16-18(31-13-20(27)24-16)12-19(14)32(29,30)10-5-21(28)26-8-6-25(7-9-26)17-4-2-1-3-15(17)23/h1-4,11-12H,5-10,13H2,(H,24,27)

InChI Key

YKWDYWPWQGGAOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.826

Distribution Coefficient, logD

1.804

Water Solubility, LogSw

-2.89

Polar Surface Area

81.625

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E511-0665 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E511-0665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-0665?
Check Price and Availability of E511-0665, 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 E511-0665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-0665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-0665
  • 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 E511-0665 available by request