8012-8357 Screening compound: 2-{[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-bromophenyl)acetamide

8012-8357 Screening compound: 2-{[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-bromophenyl)acetamide
8012-8357 Screening compound: 2-{[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-bromophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8357
2-{[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-bromophenyl)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

8012-8357

Molecular Formula

C19H13BrN4O3S (C19 H13 BrN4 O3 S)

Compound Name

2-{[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-bromophenyl)acetamide

IUPAC name

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

SMILES

O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1cccc(Br)c1

InChI

InChI=1S/C19H13BrN4O3S/c20-12-4-1-5-13(10-12)21-16(25)11-28-19-22-17(14-6-2-8-26-14)18(23-24-19)15-7-3-9-27-15/h1-10H,11H2,(H,21,25)

InChI Key

WRBGNXMIDKBZAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03081620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.31

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

3.940

Distribution Coefficient, logD

3.940

Water Solubility, LogSw

-4.04

Polar Surface Area

71.691

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

8012-8357 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 8012-8357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8357?
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What is the minimum amount of 8012-8357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8357
  • 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 8012-8357 available by request