2798-0908 Screening compound: 3,4-dimethyl 2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate

2798-0908 Screening compound: 3,4-dimethyl 2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate
2798-0908 Screening compound: 3,4-dimethyl 2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2798-0908
3,4-dimethyl 2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]-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

2798-0908

Molecular Formula

C22H20N2O7S (C22 H20 N2 O7 S)

Compound Name

3,4-dimethyl 2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate

IUPAC name

34-dimethyl 2-[3-(13-dioxo-23-dihydro-1H-isoindol-2-yl)propanamido]-4H5H6H-cyclopenta[b]thiophene-34-dicarboxylate

SMILES

COC(C(CC1)c2c1sc(NC(CCN(C(c1c3cccc1)=O)C3=O)=O)c2C(OC)=O)=O

InChI

InChI=1S/C22H20N2O7S/c1-30-21(28)13-7-8-14-16(13)17(22(29)31-2)18(32-14)23-15(25)9-10-24-19(26)11-5-3-4-6-12(11)20(24)27/h3-6,13H,7-10H2,1-2H3,(H,23,25)/t13-/m0/s1

InChI Key

XYGWPPGQZXSHSM-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD02080803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.185

Distribution Coefficient, logD

0.014

Water Solubility, LogSw

-2.94

Polar Surface Area

95.048

Acid Dissociation Constant (pKa)

5.23

Base Dissociation Constant (pKb)

-6.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

2798-0908 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 2798-0908 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2798-0908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2798-0908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2798-0908
  • 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 2798-0908 available by request