D419-0285 Screening compound: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

D419-0285 Screening compound: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
D419-0285 Screening compound: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D419-0285
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

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

D419-0285

Molecular Formula

C28H29N5O2S (C28 H29 N5 O2 S)

Compound Name

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

IUPAC name

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{[5-(2-methylphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}ethan-1-one

SMILES

Cc(cccc1)c1-c(n1-c2ccccc2)nnc1SCC(N(CC1)CCN1c(cccc1)c1OC)=O

InChI

InChI=1S/C28H29N5O2S/c1-21-10-6-7-13-23(21)27-29-30-28(33(27)22-11-4-3-5-12-22)36-20-26(34)32-18-16-31(17-19-32)24-14-8-9-15-25(24)35-2/h3-15H,16-20H2,1-2H3

InChI Key

UHJNIRNFTNPGBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.648

Distribution Coefficient, logD

4.648

Water Solubility, LogSw

-4.46

Polar Surface Area

51.695

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D419-0285 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 D419-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D419-0285?
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What is the minimum amount of D419-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D419-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D419-0285
  • 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 D419-0285 available by request