D210-0076 Screening compound: 2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

D210-0076 Screening compound: 2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
D210-0076 Screening compound: 2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D210-0076
2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-diethyl-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

D210-0076

Molecular Formula

C28H33N3O (C28 H33 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CCC(C1)(CN2C(c3c(C)n(Cc4ccccc4)c4c3cccc4)N1CC1(CC)C2)C1=O

InChI

InChI=1S/C28H33N3O/c1-4-27-16-29-18-28(5-2,26(27)32)19-30(17-27)25(29)24-20(3)31(15-21-11-7-6-8-12-21)23-14-10-9-13-22(23)24/h6-14,25H,4-5,15-19H2,1-3H3

InChI Key

PBOCFORCZLHBKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.219

Distribution Coefficient, logD

5.210

Water Solubility, LogSw

-5.28

Polar Surface Area

21.119

Acid Dissociation Constant (pKa)

26.90

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

References: we are preparing a list of scientific research reports with D210-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D210-0076?
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What is the minimum amount of D210-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D210-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D210-0076
  • 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 D210-0076 available by request