2798-0893 Screening compound: 3,4-dimethyl 2-[2-(2,4-dichlorophenoxy)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate

2798-0893 Screening compound: 3,4-dimethyl 2-[2-(2,4-dichlorophenoxy)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate
2798-0893 Screening compound: 3,4-dimethyl 2-[2-(2,4-dichlorophenoxy)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2798-0893
3,4-dimethyl 2-[2-(2,4-dichlorophenoxy)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate

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

2798-0893

Molecular Formula

C19H17Cl2NO6S (C19 H17 Cl2 NO6 S)

Compound Name

3,4-dimethyl 2-[2-(2,4-dichlorophenoxy)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate

IUPAC name

34-dimethyl 2-[2-(24-dichlorophenoxy)acetamido]-4H5H6H-cyclopenta[b]thiophene-34-dicarboxylate

SMILES

COC(C(CC1)c2c1sc(NC(COc(ccc(Cl)c1)c1Cl)=O)c2C(OC)=O)=O

InChI

InChI=1S/C19H17Cl2NO6S/c1-26-18(24)10-4-6-13-15(10)16(19(25)27-2)17(29-13)22-14(23)8-28-12-5-3-9(20)7-11(12)21/h3,5,7,10H,4,6,8H2,1-2H3,(H,22,23)/t10-/m0/s1

InChI Key

QVUISMWAIHUOLL-JTQLQIEISA-N

MDL Number (MFCD)

MFCD02331733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.982

Distribution Coefficient, logD

2.289

Water Solubility, LogSw

-4.55

Polar Surface Area

73.131

Acid Dissociation Constant (pKa)

5.72

Base Dissociation Constant (pKb)

-6.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

2798-0893 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2798-0893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2798-0893?
Check Price and Availability of 2798-0893, 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 2798-0893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2798-0893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2798-0893
  • 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 2798-0893 available by request