D489-0758 Screening compound: 2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2-methylpiperidin-1-yl)ethan-1-one

D489-0758 Screening compound: 2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2-methylpiperidin-1-yl)ethan-1-one
D489-0758 Screening compound: 2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2-methylpiperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D489-0758
2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2-methylpiperidin-1-yl)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

D489-0758

Molecular Formula

C24H29N5OS (C24 H29 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(CCCC1)N1C(CSc1nnc(-c2cc(N(C)C)ccc2)n1-c1ccccc1)=O

InChI

InChI=1S/C24H29N5OS/c1-18-10-7-8-15-28(18)22(30)17-31-24-26-25-23(29(24)20-12-5-4-6-13-20)19-11-9-14-21(16-19)27(2)3/h4-6,9,11-14,16,18H,7-8,10,15,17H2,1-3H3/t18-/m0/s1

InChI Key

BKPBRVUWQHABMH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14832281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.571

Distribution Coefficient, logD

4.570

Water Solubility, LogSw

-4.34

Polar Surface Area

43.195

Acid Dissociation Constant (pKa)

20.93

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D489-0758 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D489-0758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D489-0758?
Check Price and Availability of D489-0758, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D489-0758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D489-0758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D489-0758
  • 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 D489-0758 available by request