8018-5451 Screening compound: 7-methyl-N-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

8018-5451 Screening compound: 7-methyl-N-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
8018-5451 Screening compound: 7-methyl-N-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5451
7-methyl-N-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

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

8018-5451

Molecular Formula

C20H21N3O6S (C20 H21 N3 O6 S)

Compound Name

7-methyl-N-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

IUPAC name

7-methyl-N-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-34-dihydro-2H-14-benzoxazine-6-sulfonamide

SMILES

Cc(cc(c(N1)c2)OCC1=O)c2S(Nc1cc(C(N2CCOCC2)=O)ccc1)(=O)=O

InChI

InChI=1S/C20H21N3O6S/c1-13-9-17-16(21-19(24)12-29-17)11-18(13)30(26,27)22-15-4-2-3-14(10-15)20(25)23-5-7-28-8-6-23/h2-4,9-11,22H,5-8,12H2,1H3,(H,21,24)

InChI Key

SKSZSLIZMWOSSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.050

Distribution Coefficient, logD

1.044

Water Solubility, LogSw

-2.44

Polar Surface Area

98.715

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8018-5451 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8018-5451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5451?
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What is the minimum amount of 8018-5451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5451
  • 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 8018-5451 available by request