6930-0417 Screening compound: 2-(1-ethyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

6930-0417 Screening compound: 2-(1-ethyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
6930-0417 Screening compound: 2-(1-ethyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6930-0417
2-(1-ethyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

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

6930-0417

Molecular Formula

C20H25N3O (C20 H25 N3 O)

Compound Name

2-(1-ethyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

IUPAC name

2-(1-ethyl-1H-indol-3-yl)-57-dimethyl-13-diazatricyclo[3.3.1.1^{37}]decan-6-one

SMILES

CCn1c(cccc2)c2c(C(N(CC2(C)C3)C4)N3CC4(C)C2=O)c1

InChI

InChI=1S/C20H25N3O/c1-4-21-9-15(14-7-5-6-8-16(14)21)17-22-10-19(2)11-23(17)13-20(3,12-22)18(19)24/h5-9,17H,4,10-13H2,1-3H3

InChI Key

FYZDPCXQOMLROI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00698302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.661

Distribution Coefficient, logD

2.559

Water Solubility, LogSw

-2.67

Polar Surface Area

21.646

Acid Dissociation Constant (pKa)

28.79

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

6930-0417 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6930-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6930-0417?
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What is the minimum amount of 6930-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6930-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6930-0417
  • 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 6930-0417 available by request