1683-0658 Screening compound: ethyl 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

1683-0658 Screening compound: ethyl 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
1683-0658 Screening compound: ethyl 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-0658
ethyl 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

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

1683-0658

Molecular Formula

C23H24N2O5S (C23 H24 N2 O5 S)

Compound Name

ethyl 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-[2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(C(C)C)N(C(c2c3cccc2)=O)C3=O)=O)sc2c1CCC2)=O

InChI

InChI=1S/C23H24N2O5S/c1-4-30-23(29)17-15-10-7-11-16(15)31-20(17)24-19(26)18(12(2)3)25-21(27)13-8-5-6-9-14(13)22(25)28/h5-6,8-9,12,18H,4,7,10-11H2,1-3H3,(H,24,26)/t18-/m0/s1

InChI Key

XABFRMNAXBHABZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00706790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.484

Distribution Coefficient, logD

2.027

Water Solubility, LogSw

-4.40

Polar Surface Area

72.650

Acid Dissociation Constant (pKa)

4.94

Base Dissociation Constant (pKb)

-4.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

1683-0658 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1683-0658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-0658?
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What is the minimum amount of 1683-0658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-0658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-0658
  • 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 1683-0658 available by request