D385-0086 Screening compound: 4-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine

D385-0086 Screening compound: 4-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
D385-0086 Screening compound: 4-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D385-0086
4-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine

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

D385-0086

Molecular Formula

C15H17N7OS (C15 H17 N7 OS)

Compound Name

4-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine

IUPAC name

4-[3-(benzylsulfanyl)-1H-124-triazol-1-yl]-6-methoxy-NN-dimethyl-135-triazin-2-amine

SMILES

CN(C)c1nc(-n(cn2)nc2SCc2ccccc2)nc(OC)n1

InChI

InChI=1S/C15H17N7OS/c1-21(2)12-17-13(19-14(18-12)23-3)22-10-16-15(20-22)24-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3

InChI Key

PHRJSBOAKMUKTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12207566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.442

Distribution Coefficient, logD

3.442

Water Solubility, LogSw

-3.75

Polar Surface Area

60.498

Acid Dissociation Constant (pKa)

21.50

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with D385-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D385-0086?
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What is the minimum amount of D385-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D385-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D385-0086
  • 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 D385-0086 available by request