D684-0230 Screening compound: 4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N-ethyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine

D684-0230 Screening compound: 4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N-ethyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
D684-0230 Screening compound: 4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N-ethyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D684-0230
4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N-ethyl-6-(piperidin-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

D684-0230

Molecular Formula

C19H23ClN8S (C19 H23 ClN8 S)

Compound Name

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

IUPAC name

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

SMILES

CCNc1nc(-n(cn2)nc2SCc(cc2)ccc2Cl)nc(N2CCCCC2)n1

InChI

InChI=1S/C19H23ClN8S/c1-2-21-16-23-17(27-10-4-3-5-11-27)25-18(24-16)28-13-22-19(26-28)29-12-14-6-8-15(20)9-7-14/h6-9,13H,2-5,10-12H2,1H3,(H,21,23,24,25)

InChI Key

IQRQPUITRQJGNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.402

Distribution Coefficient, logD

5.401

Water Solubility, LogSw

-5.96

Polar Surface Area

65.067

Acid Dissociation Constant (pKa)

17.58

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with D684-0230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D684-0230?
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What is the minimum amount of D684-0230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D684-0230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D684-0230
  • 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 D684-0230 available by request