3334-3873 Screening compound: ethyl 2-[1-(benzenesulfonyl)cyclopropaneamido]-4,5-dimethylthiophene-3-carboxylate

3334-3873 Screening compound: ethyl 2-[1-(benzenesulfonyl)cyclopropaneamido]-4,5-dimethylthiophene-3-carboxylate
3334-3873 Screening compound: ethyl 2-[1-(benzenesulfonyl)cyclopropaneamido]-4,5-dimethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3334-3873
ethyl 2-[1-(benzenesulfonyl)cyclopropaneamido]-4,5-dimethylthiophene-3-carboxylate

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

3334-3873

Molecular Formula

C19H21NO5S2 (C19 H21 NO5 S2)

Compound Name

ethyl 2-[1-(benzenesulfonyl)cyclopropaneamido]-4,5-dimethylthiophene-3-carboxylate

IUPAC name

ethyl 2-[1-(benzenesulfonyl)cyclopropaneamido]-45-dimethylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C2(CC2)S(c2ccccc2)(=O)=O)=O)sc(C)c1C)=O

InChI

InChI=1S/C19H21NO5S2/c1-4-25-17(21)15-12(2)13(3)26-16(15)20-18(22)19(10-11-19)27(23,24)14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H,20,22)

InChI Key

LVJPZEYTKCJYNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02069209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.063

Distribution Coefficient, logD

0.292

Water Solubility, LogSw

-3.38

Polar Surface Area

73.902

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

-5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

3334-3873 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 3334-3873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3334-3873?
Check Price and Availability of 3334-3873, 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 3334-3873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3334-3873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3334-3873
  • 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 3334-3873 available by request