D419-0103 Screening compound: N-[4-(dimethylamino)phenyl]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

D419-0103 Screening compound: N-[4-(dimethylamino)phenyl]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
D419-0103 Screening compound: N-[4-(dimethylamino)phenyl]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D419-0103
N-[4-(dimethylamino)phenyl]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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

D419-0103

Molecular Formula

C25H25N5O2S (C25 H25 N5 O2 S)

Compound Name

N-[4-(dimethylamino)phenyl]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-[4-(dimethylamino)phenyl]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

CN(C)c(cc1)ccc1NC(CSc1nnc(-c(cc2)ccc2OC)n1-c1ccccc1)=O

InChI

InChI=1S/C25H25N5O2S/c1-29(2)20-13-11-19(12-14-20)26-23(31)17-33-25-28-27-24(18-9-15-22(32-3)16-10-18)30(25)21-7-5-4-6-8-21/h4-16H,17H2,1-3H3,(H,26,31)

InChI Key

FZWNRQJISGLYJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05316197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.738

Distribution Coefficient, logD

4.730

Water Solubility, LogSw

-4.47

Polar Surface Area

58.210

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

D419-0103 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D419-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D419-0103?
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What is the minimum amount of D419-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D419-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D419-0103
  • 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 D419-0103 available by request