2798-0045 Screening compound: 3,4-dimethyl 2-[2-(4-methoxyphenoxy)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate

2798-0045 Screening compound: 3,4-dimethyl 2-[2-(4-methoxyphenoxy)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate
2798-0045 Screening compound: 3,4-dimethyl 2-[2-(4-methoxyphenoxy)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2798-0045
3,4-dimethyl 2-[2-(4-methoxyphenoxy)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

2798-0045

Molecular Formula

C20H21NO7S (C20 H21 NO7 S)

Compound Name

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

IUPAC name

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

SMILES

COC(C(CC1)c2c1sc(NC(COc(cc1)ccc1OC)=O)c2C(OC)=O)=O

InChI

InChI=1S/C20H21NO7S/c1-25-11-4-6-12(7-5-11)28-10-15(22)21-18-17(20(24)27-3)16-13(19(23)26-2)8-9-14(16)29-18/h4-7,13H,8-10H2,1-3H3,(H,21,22)/t13-/m0/s1

InChI Key

VEWOVLOKPMFJGY-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01847008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.957

Distribution Coefficient, logD

1.264

Water Solubility, LogSw

-3.49

Polar Surface Area

80.588

Acid Dissociation Constant (pKa)

5.72

Base Dissociation Constant (pKb)

-5.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

2798-0045 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 2798-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2798-0045?
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What is the minimum amount of 2798-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2798-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2798-0045
  • 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 2798-0045 available by request