D419-0720 Screening compound: N-(6-methylpyridin-2-yl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

D419-0720 Screening compound: N-(6-methylpyridin-2-yl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
D419-0720 Screening compound: N-(6-methylpyridin-2-yl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D419-0720
N-(6-methylpyridin-2-yl)-2-{[5-(3-nitrophenyl)-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

D419-0720

Molecular Formula

C22H18N6O3S (C22 H18 N6 O3 S)

Compound Name

N-(6-methylpyridin-2-yl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-(6-methylpyridin-2-yl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

Cc1cccc(NC(CSc2nnc(-c3cc([N+]([O-])=O)ccc3)n2-c2ccccc2)=O)n1

InChI

InChI=1S/C22H18N6O3S/c1-15-7-5-12-19(23-15)24-20(29)14-32-22-26-25-21(27(22)17-9-3-2-4-10-17)16-8-6-11-18(13-16)28(30)31/h2-13H,14H2,1H3,(H,23,24,29)

InChI Key

DGVSSEPZTQYYPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.301

Distribution Coefficient, logD

4.301

Water Solubility, LogSw

-4.36

Polar Surface Area

90.233

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D419-0720 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 D419-0720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D419-0720?
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What is the minimum amount of D419-0720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D419-0720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D419-0720
  • 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 D419-0720 available by request