8017-4123 Screening compound: 2-(1-ethyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane

8017-4123 Screening compound: 2-(1-ethyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane
8017-4123 Screening compound: 2-(1-ethyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4123
2-(1-ethyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane

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

8017-4123

Molecular Formula

C21H29N3 (C21 H29 N3)

Compound Name

2-(1-ethyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane

IUPAC name

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

SMILES

CCn1c(cccc2)c2c(C2N3CC(C)(C4)CN2CC4(C)C3)c1C

InChI

InChI=1S/C21H29N3/c1-5-24-15(2)18(16-8-6-7-9-17(16)24)19-22-11-20(3)10-21(4,13-22)14-23(19)12-20/h6-9,19H,5,10-14H2,1-4H3

InChI Key

NOISBVYDCDXEAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.869

Distribution Coefficient, logD

0.375

Water Solubility, LogSw

-3.99

Polar Surface Area

7.968

Acid Dissociation Constant (pKa)

28.42

Base Dissociation Constant (pKb)

10.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

References: we are preparing a list of scientific research reports with 8017-4123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4123?
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What is the minimum amount of 8017-4123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4123
  • 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 8017-4123 available by request