D489-0995 Screening compound: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

D489-0995 Screening compound: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
D489-0995 Screening compound: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D489-0995
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-{[5-(4-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

D489-0995

Molecular Formula

C28H29N5O2S (C28 H29 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c(n1-c2ccccc2)nnc1SCC(N(CC1)CCN1c1cc(OC)ccc1)=O

InChI

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

InChI Key

VWMIJCYVSYHPKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14832299

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

5.096

Distribution Coefficient, logD

5.095

Water Solubility, LogSw

-4.94

Polar Surface Area

51.909

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D489-0995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D489-0995?
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What is the minimum amount of D489-0995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D489-0995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D489-0995
  • 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 D489-0995 available by request