F536-0576 Screening compound: 6-chloro-7-{[4-(2-fluorobenzoyl)piperazin-1-yl]sulfonyl}-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

F536-0576 Screening compound: 6-chloro-7-{[4-(2-fluorobenzoyl)piperazin-1-yl]sulfonyl}-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
F536-0576 Screening compound: 6-chloro-7-{[4-(2-fluorobenzoyl)piperazin-1-yl]sulfonyl}-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F536-0576
6-chloro-7-{[4-(2-fluorobenzoyl)piperazin-1-yl]sulfonyl}-2-methyl-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

F536-0576

Molecular Formula

C20H19ClFN3O5S (C20 H19 ClFN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(Nc1c2)=O)Oc1cc(S(N(CC1)CCN1C(c(cccc1)c1F)=O)(=O)=O)c2Cl

InChI

InChI=1S/C20H19ClFN3O5S/c1-12-19(26)23-16-10-14(21)18(11-17(16)30-12)31(28,29)25-8-6-24(7-9-25)20(27)13-4-2-3-5-15(13)22/h2-5,10-12H,6-9H2,1H3,(H,23,26)/t12-/m1/s1

InChI Key

XVPDBDUSLGMWLZ-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD27173553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.91

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.174

Distribution Coefficient, logD

2.105

Water Solubility, LogSw

-3.41

Polar Surface Area

81.014

Acid Dissociation Constant (pKa)

8.16

Base Dissociation Constant (pKb)

-4.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with F536-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F536-0576?
Check Price and Availability of F536-0576, 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 F536-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F536-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F536-0576
  • 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 F536-0576 available by request