8013-2841 Screening compound: (E)-2-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}-N'-hydroxyethanimidamide

8013-2841 Screening compound: (E)-2-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}-N'-hydroxyethanimidamide
8013-2841 Screening compound: (E)-2-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}-N'-hydroxyethanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2841
(E)-2-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}-N'-hydroxyethanimidamide

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

8013-2841

Molecular Formula

C13H21N7O4 (C13 H21 N7 O4)

Compound Name

(E)-2-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}-N'-hydroxyethanimidamide

IUPAC name

(E)-2-{[46-bis(morpholin-4-yl)-135-triazin-2-yl]oxy}-N'-hydroxyethanimidamide

SMILES

N/C(/COc1nc(N2CCOCC2)nc(N2CCOCC2)n1)=N/O

InChI

InChI=1S/C13H21N7O4/c14-10(18-21)9-24-13-16-11(19-1-5-22-6-2-19)15-12(17-13)20-3-7-23-8-4-20/h21H,1-9H2,(H2,14,18)

InChI Key

MYNKILIADWZBKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.532

Distribution Coefficient, logD

0.527

Water Solubility, LogSw

-0.37

Polar Surface Area

107.637

Acid Dissociation Constant (pKa)

12.11

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.20

8013-2841 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-2841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2841?
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What is the minimum amount of 8013-2841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2841
  • 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 8013-2841 available by request