8015-3440 Screening compound: 6-{[5-(2H-1,3-benzodioxol-5-yl)-2H-1,2,3,4-tetrazol-2-yl]methyl}-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine

8015-3440 Screening compound: 6-{[5-(2H-1,3-benzodioxol-5-yl)-2H-1,2,3,4-tetrazol-2-yl]methyl}-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine
8015-3440 Screening compound: 6-{[5-(2H-1,3-benzodioxol-5-yl)-2H-1,2,3,4-tetrazol-2-yl]methyl}-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3440
6-{[5-(2H-1,3-benzodioxol-5-yl)-2H-1,2,3,4-tetrazol-2-yl]methyl}-N2,N2-dimethyl-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

8015-3440

Molecular Formula

C14H15N9O2 (C14 H15 N9 O2)

Compound Name

6-{[5-(2H-1,3-benzodioxol-5-yl)-2H-1,2,3,4-tetrazol-2-yl]methyl}-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine

IUPAC name

6-{[5-(2H-13-benzodioxol-5-yl)-2H-1234-tetrazol-2-yl]methyl}-N2N2-dimethyl-135-triazine-24-diamine

SMILES

CN(C)c1nc(N)nc(Cn2nnc(-c(cc3)cc4c3OCO4)n2)n1

InChI

InChI=1S/C14H15N9O2/c1-22(2)14-17-11(16-13(15)18-14)6-23-20-12(19-21-23)8-3-4-9-10(5-8)25-7-24-9/h3-5H,6-7H2,1-2H3,(H2,15,16,17,18)

InChI Key

LJPJHLUBFJGYNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.531

Distribution Coefficient, logD

1.357

Water Solubility, LogSw

-2.04

Polar Surface Area

108.512

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8015-3440 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 8015-3440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3440?
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What is the minimum amount of 8015-3440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3440
  • 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 8015-3440 available by request