8009-5387 Screening compound: diethyl 5-({2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]benzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate

8009-5387 Screening compound: diethyl 5-({2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]benzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
8009-5387 Screening compound: diethyl 5-({2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]benzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5387
diethyl 5-({2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]benzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate

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

8009-5387

Molecular Formula

C24H22N4O7S3 (C24 H22 N4 O7 S3)

Compound Name

diethyl 5-({2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]benzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate

IUPAC name

24-diethyl 5-[2-(213-benzothiadiazole-4-sulfonamido)benzamido]-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(c(cccc2)c2NS(c2cccc3nsnc23)(=O)=O)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C24H22N4O7S3/c1-4-34-23(30)18-13(3)20(24(31)35-5-2)36-22(18)25-21(29)14-9-6-7-10-15(14)28-38(32,33)17-12-8-11-16-19(17)27-37-26-16/h6-12,28H,4-5H2,1-3H3,(H,25,29)

InChI Key

MFGCUOIKWMPURQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01540502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.66

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.065

Distribution Coefficient, logD

1.147

Water Solubility, LogSw

-4.25

Polar Surface Area

125.536

Acid Dissociation Constant (pKa)

4.48

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.83

8009-5387 in Drug Discovery

Included in Screening Libraries

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

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 8009-5387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5387?
Check Price and Availability of 8009-5387, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8009-5387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5387
  • 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 8009-5387 available by request