8009-2895 Screening compound: 2-({4-methyl-5-[(naphthalen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-{2-[({[4-(propan-2-yl)phenyl]carbamoyl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamide

8009-2895 Screening compound: 2-({4-methyl-5-[(naphthalen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-{2-[({[4-(propan-2-yl)phenyl]carbamoyl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamide
8009-2895 Screening compound: 2-({4-methyl-5-[(naphthalen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-{2-[({[4-(propan-2-yl)phenyl]carbamoyl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2895
2-({4-methyl-5-[(naphthalen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-{2-[({[4-(propan-2-yl)phenyl]carbamoyl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}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

8009-2895

Molecular Formula

C34H32N6O2S3 (C34 H32 N6 O2 S3)

Compound Name

2-({4-methyl-5-[(naphthalen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-{2-[({[4-(propan-2-yl)phenyl]carbamoyl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamide

IUPAC name

2-({4-methyl-5-[(naphthalen-2-yl)methyl]-4H-124-triazol-3-yl}sulfanyl)-N-{2-[({[4-(propan-2-yl)phenyl]carbamoyl}methyl)sulfanyl]-13-benzothiazol-6-yl}acetamide

SMILES

CC(C)c(cc1)ccc1NC(CSc1nc(ccc(NC(CSc2nnc(Cc3cc4ccccc4cc3)n2C)=O)c2)c2s1)=O

InChI

InChI=1S/C34H32N6O2S3/c1-21(2)23-10-12-26(13-11-23)35-32(42)20-44-34-37-28-15-14-27(18-29(28)45-34)36-31(41)19-43-33-39-38-30(40(33)3)17-22-8-9-24-6-4-5-7-25(24)16-22/h4-16,18,21H,17,19-20H2,1-3H3,(H,35,42)(H,36,41)

InChI Key

IBLWBVNDNGGYMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

652.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.662

Distribution Coefficient, logD

7.661

Water Solubility, LogSw

-6.52

Polar Surface Area

80.864

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.60

8009-2895 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8009-2895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2895?
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What is the minimum amount of 8009-2895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2895
  • 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 8009-2895 available by request