D684-0337 Screening compound: 6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N2,N2-dimethyl-N4-(2-methylpropyl)-1,3,5-triazine-2,4-diamine

D684-0337 Screening compound: 6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N2,N2-dimethyl-N4-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
D684-0337 Screening compound: 6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N2,N2-dimethyl-N4-(2-methylpropyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D684-0337
6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N2,N2-dimethyl-N4-(2-methylpropyl)-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

D684-0337

Molecular Formula

C18H23ClN8S (C18 H23 ClN8 S)

Compound Name

6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N2,N2-dimethyl-N4-(2-methylpropyl)-1,3,5-triazine-2,4-diamine

IUPAC name

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

SMILES

CC(C)CNc1nc(-n(cn2)nc2SCc(cc2)ccc2Cl)nc(N(C)C)n1

InChI

InChI=1S/C18H23ClN8S/c1-12(2)9-20-15-22-16(26(3)4)24-17(23-15)27-11-21-18(25-27)28-10-13-5-7-14(19)8-6-13/h5-8,11-12H,9-10H2,1-4H3,(H,20,22,23,24)

InChI Key

AHKGFOXAYJWXLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.184

Distribution Coefficient, logD

5.182

Water Solubility, LogSw

-5.69

Polar Surface Area

64.794

Acid Dissociation Constant (pKa)

18.38

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with D684-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D684-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D684-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D684-0337
  • 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 D684-0337 available by request