2798-0897 Screening compound: 3,4-dimethyl 2-[2-(3,5-dimethylphenoxy)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate

2798-0897 Screening compound: 3,4-dimethyl 2-[2-(3,5-dimethylphenoxy)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate
2798-0897 Screening compound: 3,4-dimethyl 2-[2-(3,5-dimethylphenoxy)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2798-0897
3,4-dimethyl 2-[2-(3,5-dimethylphenoxy)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

2798-0897

Molecular Formula

C21H23NO6S (C21 H23 NO6 S)

Compound Name

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

IUPAC name

34-dimethyl 2-[2-(35-dimethylphenoxy)acetamido]-4H5H6H-cyclopenta[b]thiophene-34-dicarboxylate

SMILES

Cc1cc(OCC(Nc2c(C(OC)=O)c(C(CC3)C(OC)=O)c3s2)=O)cc(C)c1

InChI

InChI=1S/C21H23NO6S/c1-11-7-12(2)9-13(8-11)28-10-16(23)22-19-18(21(25)27-4)17-14(20(24)26-3)5-6-15(17)29-19/h7-9,14H,5-6,10H2,1-4H3,(H,22,23)/t14-/m0/s1

InChI Key

NBLABCGSBQVZSZ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02331736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.48

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

3.858

Distribution Coefficient, logD

2.164

Water Solubility, LogSw

-4.19

Polar Surface Area

73.044

Acid Dissociation Constant (pKa)

5.72

Base Dissociation Constant (pKb)

-5.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

2798-0897 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2798-0897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2798-0897?
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What is the minimum amount of 2798-0897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2798-0897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2798-0897
  • 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 2798-0897 available by request