D385-0082 Screening compound: 6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N2,N4-diethyl-1,3,5-triazine-2,4-diamine

D385-0082 Screening compound: 6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N2,N4-diethyl-1,3,5-triazine-2,4-diamine
D385-0082 Screening compound: 6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N2,N4-diethyl-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D385-0082
6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N2,N4-diethyl-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

D385-0082

Molecular Formula

C16H20N8S (C16 H20 N8 S)

Compound Name

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

IUPAC name

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

SMILES

CCNc1nc(-n(cn2)nc2SCc2ccccc2)nc(NCC)n1

InChI

InChI=1S/C16H20N8S/c1-3-17-13-20-14(18-4-2)22-15(21-13)24-11-19-16(23-24)25-10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H2,17,18,20,21,22)

InChI Key

WLSISQARHHFUTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27582616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.680

Distribution Coefficient, logD

3.680

Water Solubility, LogSw

-3.90

Polar Surface Area

73.954

Acid Dissociation Constant (pKa)

17.83

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with D385-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D385-0082?
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What is the minimum amount of D385-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D385-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D385-0082
  • 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 D385-0082 available by request