D684-0221 Screening compound: 4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N-ethyl-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine

D684-0221 Screening compound: 4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N-ethyl-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
D684-0221 Screening compound: 4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N-ethyl-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D684-0221
4-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N-ethyl-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

D684-0221

Molecular Formula

C18H21ClN8S (C18 H21 ClN8 S)

Compound Name

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

IUPAC name

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

SMILES

CCNc1nc(-n(cn2)nc2SCc(cc2)ccc2Cl)nc(N2CCCC2)n1

InChI

InChI=1S/C18H21ClN8S/c1-2-20-15-22-16(26-9-3-4-10-26)24-17(23-15)27-12-21-18(25-27)28-11-13-5-7-14(19)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,20,22,23,24)

InChI Key

TXKODZSHEAONHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.94

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

5.069

Distribution Coefficient, logD

5.069

Water Solubility, LogSw

-5.20

Polar Surface Area

65.433

Acid Dissociation Constant (pKa)

17.58

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with D684-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D684-0221?
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What is the minimum amount of D684-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D684-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D684-0221
  • 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 D684-0221 available by request