8013-3118 Screening compound: (Z)-N'-hydroxy-2-{[4-methoxy-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}ethanimidamide

8013-3118 Screening compound: (Z)-N'-hydroxy-2-{[4-methoxy-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}ethanimidamide
8013-3118 Screening compound: (Z)-N'-hydroxy-2-{[4-methoxy-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}ethanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3118
(Z)-N'-hydroxy-2-{[4-methoxy-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}ethanimidamide

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

8013-3118

Molecular Formula

C10H16N6O4 (C10 H16 N6 O4)

Compound Name

(Z)-N'-hydroxy-2-{[4-methoxy-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}ethanimidamide

IUPAC name

(Z)-N'-hydroxy-2-{[4-methoxy-6-(morpholin-4-yl)-135-triazin-2-yl]oxy}ethanimidamide

SMILES

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

InChI

InChI=1S/C10H16N6O4/c1-18-9-12-8(16-2-4-19-5-3-16)13-10(14-9)20-6-7(11)15-17/h17H,2-6H2,1H3,(H2,11,15)

InChI Key

WWMIBMLWPNIBFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.272

Distribution Coefficient, logD

0.267

Water Solubility, LogSw

-0.07

Polar Surface Area

104.694

Acid Dissociation Constant (pKa)

12.11

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

8013-3118 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 8013-3118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3118?
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What is the minimum amount of 8013-3118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3118
  • 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 8013-3118 available by request