D385-0075 Screening compound: 6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N2,N4-dimethyl-1,3,5-triazine-2,4-diamine

D385-0075 Screening compound: 6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N2,N4-dimethyl-1,3,5-triazine-2,4-diamine
D385-0075 Screening compound: 6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N2,N4-dimethyl-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D385-0075
6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N2,N4-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

D385-0075

Molecular Formula

C14H16N8S (C14 H16 N8 S)

Compound Name

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

IUPAC name

6-[3-(benzylsulfanyl)-1H-124-triazol-1-yl]-N2N4-dimethyl-135-triazine-24-diamine

SMILES

CNc1nc(-n(cn2)nc2SCc2ccccc2)nc(NC)n1

InChI

InChI=1S/C14H16N8S/c1-15-11-18-12(16-2)20-13(19-11)22-9-17-14(21-22)23-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,15,16,18,19,20)

InChI Key

WZRZHWDJEDKBTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27582612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.722

Distribution Coefficient, logD

2.718

Water Solubility, LogSw

-2.84

Polar Surface Area

75.003

Acid Dissociation Constant (pKa)

18.15

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with D385-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D385-0075?
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What is the minimum amount of D385-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D385-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D385-0075
  • 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 D385-0075 available by request