F536-0222 Screening compound: 6-chloro-7-{[4-(4-methoxybenzoyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

F536-0222 Screening compound: 6-chloro-7-{[4-(4-methoxybenzoyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
F536-0222 Screening compound: 6-chloro-7-{[4-(4-methoxybenzoyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F536-0222
6-chloro-7-{[4-(4-methoxybenzoyl)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

F536-0222

Molecular Formula

C20H20ClN3O6S (C20 H20 ClN3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H20ClN3O6S/c1-29-14-4-2-13(3-5-14)20(26)23-6-8-24(9-7-23)31(27,28)18-11-17-16(10-15(18)21)22-19(25)12-30-17/h2-5,10-11H,6-9,12H2,1H3,(H,22,25)

InChI Key

HBWVAJFEPRTVKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27173423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.91

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.435

Distribution Coefficient, logD

1.376

Water Solubility, LogSw

-2.96

Polar Surface Area

89.219

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-4.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

F536-0222 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F536-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F536-0222?
Check Price and Availability of F536-0222, 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 F536-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F536-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F536-0222
  • 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 F536-0222 available by request