8012-8794 Screening compound: N-[2-(1,2-dimethyl-1H-indol-3-yl)ethyl]-6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamide

8012-8794 Screening compound: N-[2-(1,2-dimethyl-1H-indol-3-yl)ethyl]-6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamide
8012-8794 Screening compound: N-[2-(1,2-dimethyl-1H-indol-3-yl)ethyl]-6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8794
N-[2-(1,2-dimethyl-1H-indol-3-yl)ethyl]-6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamide

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

8012-8794

Molecular Formula

C26H29N3O3 (C26 H29 N3 O3)

Compound Name

N-[2-(1,2-dimethyl-1H-indol-3-yl)ethyl]-6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamide

IUPAC name

N-[2-(12-dimethyl-1H-indol-3-yl)ethyl]-6-(13-dioxo-23-dihydro-1H-isoindol-2-yl)hexanamide

SMILES

Cc1c(CCNC(CCCCCN(C(c2c3cccc2)=O)C3=O)=O)c(cccc2)c2n1C

InChI

InChI=1S/C26H29N3O3/c1-18-19(20-10-7-8-13-23(20)28(18)2)15-16-27-24(30)14-4-3-9-17-29-25(31)21-11-5-6-12-22(21)26(29)32/h5-8,10-13H,3-4,9,14-17H2,1-2H3,(H,27,30)

InChI Key

KZZGNYACJJMBJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.950

Distribution Coefficient, logD

2.950

Water Solubility, LogSw

-3.35

Polar Surface Area

56.065

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with 8012-8794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8794?
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What is the minimum amount of 8012-8794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8794
  • 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 8012-8794 available by request