2798-0039 Screening compound: 3,4-dimethyl 2-(3-methylbenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate

2798-0039 Screening compound: 3,4-dimethyl 2-(3-methylbenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate
2798-0039 Screening compound: 3,4-dimethyl 2-(3-methylbenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2798-0039
3,4-dimethyl 2-(3-methylbenzamido)-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

2798-0039

Molecular Formula

C19H19NO5S (C19 H19 NO5 S)

Compound Name

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

IUPAC name

34-dimethyl 2-(3-methylbenzamido)-4H5H6H-cyclopenta[b]thiophene-34-dicarboxylate

SMILES

Cc1cccc(C(Nc2c(C(OC)=O)c(C(CC3)C(OC)=O)c3s2)=O)c1

InChI

InChI=1S/C19H19NO5S/c1-10-5-4-6-11(9-10)16(21)20-17-15(19(23)25-3)14-12(18(22)24-2)7-8-13(14)26-17/h4-6,9,12H,7-8H2,1-3H3,(H,20,21)/t12-/m0/s1

InChI Key

ZKRNMMJCELTWQT-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02331728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

-0.340

Water Solubility, LogSw

-3.67

Polar Surface Area

65.758

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

-7.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

2798-0039 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 2798-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2798-0039?
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What is the minimum amount of 2798-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2798-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2798-0039
  • 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 2798-0039 available by request