Y040-9873 Screening compound: N-[2-(morpholin-4-yl)ethyl]-6-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)hexanamide

Y040-9873 Screening compound: N-[2-(morpholin-4-yl)ethyl]-6-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)hexanamide
Y040-9873 Screening compound: N-[2-(morpholin-4-yl)ethyl]-6-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9873
N-[2-(morpholin-4-yl)ethyl]-6-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)hexanamide

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

Y040-9873

Molecular Formula

C19H27N5O3 (C19 H27 N5 O3)

Compound Name

N-[2-(morpholin-4-yl)ethyl]-6-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)hexanamide

IUPAC name

N-[2-(morpholin-4-yl)ethyl]-6-(4-oxo-34-dihydro-123-benzotriazin-3-yl)hexanamide

SMILES

O=C(CCCCCN1N=Nc(cccc2)c2C1=O)NCCN1CCOCC1

InChI

InChI=1S/C19H27N5O3/c25-18(20-9-11-23-12-14-27-15-13-23)8-2-1-5-10-24-19(26)16-6-3-4-7-17(16)21-22-24/h3-4,6-7H,1-2,5,8-15H2,(H,20,25)

InChI Key

CPNDLVCTGMLYRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12199597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.803

Distribution Coefficient, logD

0.727

Water Solubility, LogSw

-2.13

Polar Surface Area

77.115

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

References: we are preparing a list of scientific research reports with Y040-9873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9873?
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What is the minimum amount of Y040-9873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9873
  • 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 Y040-9873 available by request