D684-0355 Screening compound: 4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N,N-dimethyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine

D684-0355 Screening compound: 4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N,N-dimethyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
D684-0355 Screening compound: 4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N,N-dimethyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D684-0355
4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N,N-dimethyl-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

D684-0355

Molecular Formula

C19H23ClN8S (C19 H23 ClN8 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C)c1nc(-n(cn2)nc2SCc(cc2)ccc2Cl)nc(N2CCCCC2)n1

InChI

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

InChI Key

NCKTWYYBEABEIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.543

Distribution Coefficient, logD

5.531

Water Solubility, LogSw

-6.00

Polar Surface Area

55.533

Acid Dissociation Constant (pKa)

18.59

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

D684-0355 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D684-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D684-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D684-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D684-0355
  • 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 D684-0355 available by request