F537-0346 Screening compound: 6-({4-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazin-1-yl}sulfonyl)-2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

F537-0346 Screening compound: 6-({4-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazin-1-yl}sulfonyl)-2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
F537-0346 Screening compound: 6-({4-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazin-1-yl}sulfonyl)-2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F537-0346
6-({4-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazin-1-yl}sulfonyl)-2-ethyl-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

F537-0346

Molecular Formula

C25H29N3O7S (C25 H29 N3 O7 S)

Compound Name

6-({4-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazin-1-yl}sulfonyl)-2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-({4-[(2E)-3-(34-dimethoxyphenyl)prop-2-enoyl]piperazin-1-yl}sulfonyl)-2-ethyl-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CCC1Oc(ccc(S(N(CC2)CCN2C(/C=C/c(cc2)cc(OC)c2OC)=O)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C25H29N3O7S/c1-4-20-25(30)26-19-16-18(7-9-21(19)35-20)36(31,32)28-13-11-27(12-14-28)24(29)10-6-17-5-8-22(33-2)23(15-17)34-3/h5-10,15-16,20H,4,11-14H2,1-3H3,(H,26,30)/t20-/m1/s1

InChI Key

BSBTUOJOSYEMNK-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27173743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.567

Distribution Coefficient, logD

2.567

Water Solubility, LogSw

-3.17

Polar Surface Area

95.942

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

F537-0346 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with F537-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F537-0346?
Check Price and Availability of F537-0346, 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 F537-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F537-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F537-0346
  • 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 F537-0346 available by request