6809-0029 Screening compound: 6-[(azepan-1-yl)methyl]-N2-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

6809-0029 Screening compound: 6-[(azepan-1-yl)methyl]-N2-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
6809-0029 Screening compound: 6-[(azepan-1-yl)methyl]-N2-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6809-0029
6-[(azepan-1-yl)methyl]-N2-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

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

6809-0029

Molecular Formula

C17H24N6O (C17 H24 N6 O)

Compound Name

6-[(azepan-1-yl)methyl]-N2-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-[(azepan-1-yl)methyl]-N2-(2-methoxyphenyl)-135-triazine-24-diamine

SMILES

COc(cccc1)c1Nc1nc(N)nc(CN2CCCCCC2)n1

InChI

InChI=1S/C17H24N6O/c1-24-14-9-5-4-8-13(14)19-17-21-15(20-16(18)22-17)12-23-10-6-2-3-7-11-23/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H3,18,19,20,21,22)

InChI Key

JDXTYWIAQLDZER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04141989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.057

Distribution Coefficient, logD

2.127

Water Solubility, LogSw

-3.28

Polar Surface Area

72.604

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

6809-0029 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6809-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6809-0029?
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What is the minimum amount of 6809-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6809-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6809-0029
  • 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 6809-0029 available by request