1683-0572 Screening compound: ethyl 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

1683-0572 Screening compound: ethyl 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
1683-0572 Screening compound: ethyl 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-0572
ethyl 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]-4,5,6,7-tetrahydro-1-benzothiophene-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

1683-0572

Molecular Formula

C24H26N2O5S (C24 H26 N2 O5 S)

Compound Name

ethyl 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(C(C)C)N(C(c2c3cccc2)=O)C3=O)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C24H26N2O5S/c1-4-31-24(30)18-16-11-7-8-12-17(16)32-21(18)25-20(27)19(13(2)3)26-22(28)14-9-5-6-10-15(14)23(26)29/h5-6,9-10,13,19H,4,7-8,11-12H2,1-3H3,(H,25,27)/t19-/m0/s1

InChI Key

GURFLQIYWLNONJ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00325973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.55

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

4.894

Distribution Coefficient, logD

2.458

Water Solubility, LogSw

-4.61

Polar Surface Area

72.284

Acid Dissociation Constant (pKa)

4.97

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

1683-0572 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 1683-0572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-0572?
Check Price and Availability of 1683-0572, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1683-0572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-0572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-0572
  • 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 1683-0572 available by request