8009-1700 Screening compound: 2-({[(2,6-dimethylphenyl)carbamoyl]methyl}sulfanyl)-N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide

8009-1700 Screening compound: 2-({[(2,6-dimethylphenyl)carbamoyl]methyl}sulfanyl)-N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide
8009-1700 Screening compound: 2-({[(2,6-dimethylphenyl)carbamoyl]methyl}sulfanyl)-N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1700
2-({[(2,6-dimethylphenyl)carbamoyl]methyl}sulfanyl)-N-[2-(ethylsulfanyl)-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

8009-1700

Molecular Formula

C21H23N3O2S3 (C21 H23 N3 O2 S3)

Compound Name

2-({[(2,6-dimethylphenyl)carbamoyl]methyl}sulfanyl)-N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide

IUPAC name

2-({[(26-dimethylphenyl)carbamoyl]methyl}sulfanyl)-N-[2-(ethylsulfanyl)-13-benzothiazol-6-yl]acetamide

SMILES

CCSc1nc(ccc(NC(CSCC(Nc2c(C)cccc2C)=O)=O)c2)c2s1

InChI

InChI=1S/C21H23N3O2S3/c1-4-28-21-23-16-9-8-15(10-17(16)29-21)22-18(25)11-27-12-19(26)24-20-13(2)6-5-7-14(20)3/h5-10H,4,11-12H2,1-3H3,(H,22,25)(H,24,26)

InChI Key

VOYJEVYHQIBXTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01204463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.106

Distribution Coefficient, logD

5.106

Water Solubility, LogSw

-4.96

Polar Surface Area

53.951

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8009-1700 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8009-1700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1700?
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What is the minimum amount of 8009-1700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1700
  • 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 8009-1700 available by request