2798-0874 Screening compound: 3,4-dimethyl 2-(3,4-dichlorobenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate

2798-0874 Screening compound: 3,4-dimethyl 2-(3,4-dichlorobenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate
2798-0874 Screening compound: 3,4-dimethyl 2-(3,4-dichlorobenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2798-0874
3,4-dimethyl 2-(3,4-dichlorobenzamido)-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

2798-0874

Molecular Formula

C18H15Cl2NO5S (C18 H15 Cl2 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

COC(C(CC1)c2c1sc(NC(c(cc1)cc(Cl)c1Cl)=O)c2C(OC)=O)=O

InChI

InChI=1S/C18H15Cl2NO5S/c1-25-17(23)9-4-6-12-13(9)14(18(24)26-2)16(27-12)21-15(22)8-3-5-10(19)11(20)7-8/h3,5,7,9H,4,6H2,1-2H3,(H,21,22)/t9-/m0/s1

InChI Key

FZTLYDZZCLQCIU-VIFPVBQESA-N

MDL Number (MFCD)

MFCD02331729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.29

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

4.252

Distribution Coefficient, logD

-0.727

Water Solubility, LogSw

-4.81

Polar Surface Area

65.758

Acid Dissociation Constant (pKa)

2.42

Base Dissociation Constant (pKb)

-8.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

2798-0874 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 2798-0874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2798-0874?
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What is the minimum amount of 2798-0874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2798-0874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2798-0874
  • 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 2798-0874 available by request