C798-0237 Screening compound: 6-methyl-4-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

C798-0237 Screening compound: 6-methyl-4-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
C798-0237 Screening compound: 6-methyl-4-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0237
6-methyl-4-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-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

C798-0237

Molecular Formula

C22H26N4O3 (C22 H26 N4 O3)

Compound Name

6-methyl-4-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-methyl-4-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

Cc(cc1)cc(N2CCCC(N(CC3)CCN3c3ncccc3)=O)c1OCC2=O

InChI

InChI=1S/C22H26N4O3/c1-17-7-8-19-18(15-17)26(22(28)16-29-19)10-4-6-21(27)25-13-11-24(12-14-25)20-5-2-3-9-23-20/h2-3,5,7-9,15H,4,6,10-14,16H2,1H3

InChI Key

KWMPGLITXFRQKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.984

Distribution Coefficient, logD

1.976

Water Solubility, LogSw

-2.22

Polar Surface Area

52.211

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

C798-0237 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C798-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0237?
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What is the minimum amount of C798-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0237
  • 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 C798-0237 available by request