8015-0505 Screening compound: 6-({[1-(2H-1,3-benzodioxol-5-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine

8015-0505 Screening compound: 6-({[1-(2H-1,3-benzodioxol-5-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine
8015-0505 Screening compound: 6-({[1-(2H-1,3-benzodioxol-5-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0505
6-({[1-(2H-1,3-benzodioxol-5-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}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

8015-0505

Molecular Formula

C14H15N9O2S (C14 H15 N9 O2 S)

Compound Name

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

IUPAC name

6-({[1-(2H-13-benzodioxol-5-yl)-1H-1234-tetrazol-5-yl]sulfanyl}methyl)-N2N2-dimethyl-135-triazine-24-diamine

SMILES

CN(C)c1nc(N)nc(CSc2nnnn2-c(cc2)cc3c2OCO3)n1

InChI

InChI=1S/C14H15N9O2S/c1-22(2)13-17-11(16-12(15)18-13)6-26-14-19-20-21-23(14)8-3-4-9-10(5-8)25-7-24-9/h3-5H,6-7H2,1-2H3,(H2,15,16,17,18)

InChI Key

IWDJIHXCZRVMEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.935

Distribution Coefficient, logD

1.923

Water Solubility, LogSw

-2.68

Polar Surface Area

110.059

Acid Dissociation Constant (pKa)

17.34

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8015-0505 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0505?
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What is the minimum amount of 8015-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0505
  • 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 8015-0505 available by request