8002-7160 Screening compound: 2-[(4,6-bis{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-1,3,5-triazin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide

8002-7160 Screening compound: 2-[(4,6-bis{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-1,3,5-triazin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
8002-7160 Screening compound: 2-[(4,6-bis{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-1,3,5-triazin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-7160
2-[(4,6-bis{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-1,3,5-triazin-2-yl)sulfanyl]-N-(3-nitrophenyl)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

8002-7160

Molecular Formula

C27H21N9O9S3 (C27 H21 N9 O9 S3)

Compound Name

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

IUPAC name

2-{[46-bis({[(3-nitrophenyl)carbamoyl]methyl}sulfanyl)-135-triazin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide

SMILES

[O-][N+](c1cccc(NC(CSc2nc(SCC(Nc3cc([N+]([O-])=O)ccc3)=O)nc(SCC(Nc3cc([N+]([O-])=O)ccc3)=O)n2)=O)c1)=O

InChI

InChI=1S/C27H21N9O9S3/c37-22(28-16-4-1-7-19(10-16)34(40)41)13-46-25-31-26(47-14-23(38)29-17-5-2-8-20(11-17)35(42)43)33-27(32-25)48-15-24(39)30-18-6-3-9-21(12-18)36(44)45/h1-12H,13-15H2,(H,28,37)(H,29,38)(H,30,39)

InChI Key

FMGNMNIJEAHJMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00733280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

711.72

Hydrogen Bond Acceptors Count

24.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

18

Partition Coefficient, logP

5.709

Distribution Coefficient, logD

5.708

Water Solubility, LogSw

-5.79

Polar Surface Area

195.049

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8002-7160 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 8002-7160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-7160?
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What is the minimum amount of 8002-7160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-7160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-7160
  • 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 8002-7160 available by request