D684-0322 Screening compound: N4-(butan-2-yl)-N2,N2-dimethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

D684-0322 Screening compound: N4-(butan-2-yl)-N2,N2-dimethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
D684-0322 Screening compound: N4-(butan-2-yl)-N2,N2-dimethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D684-0322
N4-(butan-2-yl)-N2,N2-dimethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-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

D684-0322

Molecular Formula

C20H28N8OS (C20 H28 N8 OS)

Compound Name

N4-(butan-2-yl)-N2,N2-dimethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

N4-(butan-2-yl)-N2N2-dimethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-124-triazol-1-yl)-135-triazine-24-diamine

SMILES

CCC(C)Nc1nc(-n(cn2)nc2SCCOc2ccc(C)cc2)nc(N(C)C)n1

InChI

InChI=1S/C20H28N8OS/c1-6-15(3)22-17-23-18(27(4)5)25-19(24-17)28-13-21-20(26-28)30-12-11-29-16-9-7-14(2)8-10-16/h7-10,13,15H,6,11-12H2,1-5H3,(H,22,23,24,25)/t15-/m0/s1

InChI Key

ICJIAWJMTHQSKD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27596493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.969

Distribution Coefficient, logD

4.954

Water Solubility, LogSw

-4.56

Polar Surface Area

71.653

Acid Dissociation Constant (pKa)

15.83

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with D684-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D684-0322
ChemDiv sends parcels with Express services (UPS, WC).
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Delivery formats for D684-0322
  • 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 D684-0322 available by request