8013-8046 Screening compound: N~1~-(2,6-dichlorophenyl)-2-{[5,6-di(2-furyl)-1,2,4-triazin-3-yl]sulfanyl}acetamide

8013-8046 Screening compound: N~1~-(2,6-dichlorophenyl)-2-{[5,6-di(2-furyl)-1,2,4-triazin-3-yl]sulfanyl}acetamide
8013-8046 Screening compound: N~1~-(2,6-dichlorophenyl)-2-{[5,6-di(2-furyl)-1,2,4-triazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-8046
N~1~-(2,6-dichlorophenyl)-2-{[5,6-di(2-furyl)-1,2,4-triazin-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

8013-8046

Molecular Formula

C19H12Cl2N4O3S (C19 H12 Cl2 N4 O3 S)

Compound Name

N~1~-(2,6-dichlorophenyl)-2-{[5,6-di(2-furyl)-1,2,4-triazin-3-yl]sulfanyl}acetamide

IUPAC name

2-{[56-bis(furan-2-yl)-124-triazin-3-yl]sulfanyl}-N-(26-dichlorophenyl)acetamide

SMILES

O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc(c(Cl)ccc1)c1Cl

InChI

InChI=1S/C19H12Cl2N4O3S/c20-11-4-1-5-12(21)16(11)22-15(26)10-29-19-23-17(13-6-2-8-27-13)18(24-25-19)14-7-3-9-28-14/h1-9H,10H2,(H,22,26)

InChI Key

MMYXHHIESVVRMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03081632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.261

Distribution Coefficient, logD

4.251

Water Solubility, LogSw

-4.40

Polar Surface Area

70.296

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.26

8013-8046 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-8046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-8046?
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What is the minimum amount of 8013-8046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-8046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-8046
  • 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 8013-8046 available by request