C798-0304 Screening compound: N-{3-[butyl(methyl)amino]propyl}-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanamide

C798-0304 Screening compound: N-{3-[butyl(methyl)amino]propyl}-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanamide
C798-0304 Screening compound: N-{3-[butyl(methyl)amino]propyl}-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0304
N-{3-[butyl(methyl)amino]propyl}-4-(6-methyl-3-oxo-3,4-dihydro-2H-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

C798-0304

Molecular Formula

C21H33N3O3 (C21 H33 N3 O3)

Compound Name

N-{3-[butyl(methyl)amino]propyl}-4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanamide

IUPAC name

N-{3-[butyl(methyl)amino]propyl}-4-(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)butanamide

SMILES

CCCCN(C)CCCNC(CCCN1c(cc(C)cc2)c2OCC1=O)=O

InChI

InChI=1S/C21H33N3O3/c1-4-5-12-23(3)13-7-11-22-20(25)8-6-14-24-18-15-17(2)9-10-19(18)27-16-21(24)26/h9-10,15H,4-8,11-14,16H2,1-3H3,(H,22,25)

InChI Key

YXNWBNDKLNIRLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.512

Distribution Coefficient, logD

-1.085

Water Solubility, LogSw

-2.14

Polar Surface Area

52.704

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

C798-0304 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C798-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0304?
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What is the minimum amount of C798-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0304
  • 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 C798-0304 available by request