F536-0295 Screening compound: N-(2-{4-[(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)benzamide

F536-0295 Screening compound: N-(2-{4-[(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)benzamide
F536-0295 Screening compound: N-(2-{4-[(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F536-0295
N-(2-{4-[(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)benzamide

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

F536-0295

Molecular Formula

C23H26N4O6S (C23 H26 N4 O6 S)

Compound Name

N-(2-{4-[(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)benzamide

IUPAC name

N-(2-{4-[(26-dimethyl-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)sulfonyl]piperazin-1-yl}-2-oxoethyl)benzamide

SMILES

CC1Oc2cc(S(N(CC3)CCN3C(CNC(c3ccccc3)=O)=O)(=O)=O)c(C)cc2NC1=O

InChI

InChI=1S/C23H26N4O6S/c1-15-12-18-19(33-16(2)22(29)25-18)13-20(15)34(31,32)27-10-8-26(9-11-27)21(28)14-24-23(30)17-6-4-3-5-7-17/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,24,30)(H,25,29)/t16-/m1/s1

InChI Key

VKNVFPWIWFINCE-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27173451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.179

Distribution Coefficient, logD

1.178

Water Solubility, LogSw

-2.45

Polar Surface Area

105.172

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

F536-0295 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 F536-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F536-0295?
Check Price and Availability of F536-0295, 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 F536-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F536-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F536-0295
  • 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 F536-0295 available by request