8018-5455 Screening compound: 2-(7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)-N-(3-methylphenyl)benzamide

8018-5455 Screening compound: 2-(7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)-N-(3-methylphenyl)benzamide
8018-5455 Screening compound: 2-(7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)-N-(3-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5455
2-(7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)-N-(3-methylphenyl)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

8018-5455

Molecular Formula

C23H21N3O5S (C23 H21 N3 O5 S)

Compound Name

2-(7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)-N-(3-methylphenyl)benzamide

IUPAC name

2-(7-methyl-3-oxo-34-dihydro-2H-14-benzoxazine-6-sulfonamido)-N-(3-methylphenyl)benzamide

SMILES

Cc1cccc(NC(c(cccc2)c2NS(c(cc2N3)c(C)cc2OCC3=O)(=O)=O)=O)c1

InChI

InChI=1S/C23H21N3O5S/c1-14-6-5-7-16(10-14)24-23(28)17-8-3-4-9-18(17)26-32(29,30)21-12-19-20(11-15(21)2)31-13-22(27)25-19/h3-12,26H,13H2,1-2H3,(H,24,28)(H,25,27)

InChI Key

RWMSZOVEEVPPRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.144

Distribution Coefficient, logD

2.930

Water Solubility, LogSw

-3.55

Polar Surface Area

96.552

Acid Dissociation Constant (pKa)

7.60

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

8018-5455 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8018-5455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5455?
Check Price and Availability of 8018-5455, 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 8018-5455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5455
  • 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 8018-5455 available by request