F536-0232 Screening compound: 6-chloro-7-{[4-(4-ethoxybenzoyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

F536-0232 Screening compound: 6-chloro-7-{[4-(4-ethoxybenzoyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
F536-0232 Screening compound: 6-chloro-7-{[4-(4-ethoxybenzoyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F536-0232
6-chloro-7-{[4-(4-ethoxybenzoyl)piperazin-1-yl]sulfonyl}-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

F536-0232

Molecular Formula

C21H22ClN3O6S (C21 H22 ClN3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1C(N(CC1)CCN1S(c(cc(c(N1)c2)OCC1=O)c2Cl)(=O)=O)=O

InChI

InChI=1S/C21H22ClN3O6S/c1-2-30-15-5-3-14(4-6-15)21(27)24-7-9-25(10-8-24)32(28,29)19-12-18-17(11-16(19)22)23-20(26)13-31-18/h3-6,11-12H,2,7-10,13H2,1H3,(H,23,26)

InChI Key

DFQZEAXXSSYXKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27173426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.94

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.822

Distribution Coefficient, logD

1.763

Water Solubility, LogSw

-3.07

Polar Surface Area

88.799

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-4.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F536-0232 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F536-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F536-0232?
Check Price and Availability of F536-0232, 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 F536-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F536-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F536-0232
  • 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 F536-0232 available by request