F536-0502 Screening compound: 6-chloro-7-({4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl}sulfonyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

F536-0502 Screening compound: 6-chloro-7-({4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl}sulfonyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
F536-0502 Screening compound: 6-chloro-7-({4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl}sulfonyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F536-0502
6-chloro-7-({4-[2-(3-methoxyphenyl)acetyl]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

F536-0502

Molecular Formula

C22H24ClN3O6S (C22 H24 ClN3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(Nc1c2)=O)Oc1cc(S(N(CC1)CCN1C(Cc1cc(OC)ccc1)=O)(=O)=O)c2Cl

InChI

InChI=1S/C22H24ClN3O6S/c1-14-22(28)24-18-12-17(23)20(13-19(18)32-14)33(29,30)26-8-6-25(7-9-26)21(27)11-15-4-3-5-16(10-15)31-2/h3-5,10,12-14H,6-9,11H2,1-2H3,(H,24,28)/t14-/m1/s1

InChI Key

MSLAHZCQSSUVPW-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27173523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.97

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

2.419

Distribution Coefficient, logD

2.350

Water Solubility, LogSw

-3.36

Polar Surface Area

88.030

Acid Dissociation Constant (pKa)

8.16

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with F536-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F536-0502?
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What is the minimum amount of F536-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F536-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F536-0502
  • 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 F536-0502 available by request