C798-0310 Screening compound: N~1~-(5-bromo-2-pyridyl)-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide

C798-0310 Screening compound: N~1~-(5-bromo-2-pyridyl)-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide
C798-0310 Screening compound: N~1~-(5-bromo-2-pyridyl)-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0310
N~1~-(5-bromo-2-pyridyl)-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide

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

C798-0310

Molecular Formula

C18H18BrN3O3 (C18 H18 BrN3 O3)

Compound Name

N~1~-(5-bromo-2-pyridyl)-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide

IUPAC name

n/a

SMILES

Cc(cc1)cc(N2CCCC(Nc(cc3)ncc3Br)=O)c1OCC2=O

InChI

InChI=1S/C18H18BrN3O3/c1-12-4-6-15-14(9-12)22(18(24)11-25-15)8-2-3-17(23)21-16-7-5-13(19)10-20-16/h4-7,9-10H,2-3,8,11H2,1H3,(H,20,21,23)

InChI Key

HTJNOVWLUDJTPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.669

Distribution Coefficient, logD

2.653

Water Solubility, LogSw

-2.96

Polar Surface Area

56.901

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

C798-0310 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C798-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0310?
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What is the minimum amount of C798-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0310
  • 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 C798-0310 available by request