8013-3346 Screening compound: 2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

8013-3346 Screening compound: 2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
8013-3346 Screening compound: 2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3346
2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

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

8013-3346

Molecular Formula

C20H22N2O3 (C20 H22 N2 O3)

Compound Name

2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

IUPAC name

2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-233a477a-hexahydro-1H-isoindole-13-dione

SMILES

Cc1c(CCN(C(C2C3CC=CC2)=O)C3=O)c(cc(cc2)OC)c2[nH]1

InChI

InChI=1S/C20H22N2O3/c1-12-14(17-11-13(25-2)7-8-18(17)21-12)9-10-22-19(23)15-5-3-4-6-16(15)20(22)24/h3-4,7-8,11,15-16,21H,5-6,9-10H2,1-2H3

InChI Key

JXGHUGVUIOCYAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.318

Distribution Coefficient, logD

3.318

Water Solubility, LogSw

-3.65

Polar Surface Area

47.132

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

8013-3346 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 8013-3346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3346?
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What is the minimum amount of 8013-3346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3346
  • 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 8013-3346 available by request