D684-0028 Screening compound: N2,N2,N4-trimethyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine

D684-0028 Screening compound: N2,N2,N4-trimethyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine
D684-0028 Screening compound: N2,N2,N4-trimethyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D684-0028
N2,N2,N4-trimethyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-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

D684-0028

Molecular Formula

C9H14N8S (C9 H14 N8 S)

Compound Name

N2,N2,N4-trimethyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine

IUPAC name

N2N2N4-trimethyl-6-[3-(methylsulfanyl)-1H-124-triazol-1-yl]-135-triazine-24-diamine

SMILES

CNc1nc(-n(cn2)nc2SC)nc(N(C)C)n1

InChI

InChI=1S/C9H14N8S/c1-10-6-12-7(16(2)3)14-8(13-6)17-5-11-9(15-17)18-4/h5H,1-4H3,(H,10,12,13,14)

InChI Key

PJBIBVXMEWAISY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.033

Distribution Coefficient, logD

2.014

Water Solubility, LogSw

-2.37

Polar Surface Area

65.216

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D684-0028 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 D684-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D684-0028?
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What is the minimum amount of D684-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D684-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D684-0028
  • 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 D684-0028 available by request