8013-2847 Screening compound: [1-(4,6-dimorpholino-1,3,5-triazin-2-yl)-1H-1,2,3-triazol-4-yl]methanol

8013-2847 Screening compound: [1-(4,6-dimorpholino-1,3,5-triazin-2-yl)-1H-1,2,3-triazol-4-yl]methanol
8013-2847 Screening compound: [1-(4,6-dimorpholino-1,3,5-triazin-2-yl)-1H-1,2,3-triazol-4-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2847
[1-(4,6-dimorpholino-1,3,5-triazin-2-yl)-1H-1,2,3-triazol-4-yl]methanol

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

8013-2847

Molecular Formula

C14H20N8O3 (C14 H20 N8 O3)

Compound Name

[1-(4,6-dimorpholino-1,3,5-triazin-2-yl)-1H-1,2,3-triazol-4-yl]methanol

IUPAC name

{1-[46-bis(morpholin-4-yl)-135-triazin-2-yl]-1H-123-triazol-4-yl}methanol

SMILES

OCc1cn(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)nn1

InChI

InChI=1S/C14H20N8O3/c23-10-11-9-22(19-18-11)14-16-12(20-1-5-24-6-2-20)15-13(17-14)21-3-7-25-8-4-21/h9,23H,1-8,10H2

InChI Key

FQCZNJCIFALHHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.045

Distribution Coefficient, logD

1.045

Water Solubility, LogSw

-1.03

Polar Surface Area

93.583

Acid Dissociation Constant (pKa)

15.35

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.29

8013-2847 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 8013-2847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2847?
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What is the minimum amount of 8013-2847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2847
  • 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 8013-2847 available by request