D441-0038 Screening compound: N-ethyl-4-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine

D441-0038 Screening compound: N-ethyl-4-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
D441-0038 Screening compound: N-ethyl-4-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D441-0038
N-ethyl-4-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(pyrrolidin-1-yl)-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

D441-0038

Molecular Formula

C20H26N8OS (C20 H26 N8 OS)

Compound Name

N-ethyl-4-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine

IUPAC name

N-ethyl-4-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-124-triazol-1-yl)-6-(pyrrolidin-1-yl)-135-triazin-2-amine

SMILES

CCNc1nc(-n(cn2)nc2SCCOc2c(C)cccc2)nc(N2CCCC2)n1

InChI

InChI=1S/C20H26N8OS/c1-3-21-17-23-18(27-10-6-7-11-27)25-19(24-17)28-14-22-20(26-28)30-13-12-29-16-9-5-4-8-15(16)2/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,21,23,24,25)

InChI Key

CINHIWBUCVCDNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.038

Distribution Coefficient, logD

5.038

Water Solubility, LogSw

-4.68

Polar Surface Area

72.938

Acid Dissociation Constant (pKa)

17.58

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with D441-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D441-0038?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D441-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D441-0038
  • 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 D441-0038 available by request