F537-0029 Screening compound: 6-{[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

F537-0029 Screening compound: 6-{[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
F537-0029 Screening compound: 6-{[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F537-0029
6-{[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)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

F537-0029

Molecular Formula

C23H24N4O6S (C23 H24 N4 O6 S)

Compound Name

6-{[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-{[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]sulfonyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(C(CC1=O)CN1c1ccccc1)N(CC1)CCN1S(c(cc1)cc(N2)c1OCC2=O)(=O)=O

InChI

InChI=1S/C23H24N4O6S/c28-21-15-33-20-7-6-18(13-19(20)24-21)34(31,32)26-10-8-25(9-11-26)23(30)16-12-22(29)27(14-16)17-4-2-1-3-5-17/h1-7,13,16H,8-12,14-15H2,(H,24,28)/t16-/m0/s1

InChI Key

WXAUQVPEVKHNSZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14958452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.591

Distribution Coefficient, logD

0.590

Water Solubility, LogSw

-2.55

Polar Surface Area

98.426

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

F537-0029 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F537-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F537-0029?
Check Price and Availability of F537-0029, 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 F537-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F537-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F537-0029
  • 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 F537-0029 available by request