D210-0021 Screening compound: 5-ethyl-7-methyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

D210-0021 Screening compound: 5-ethyl-7-methyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
D210-0021 Screening compound: 5-ethyl-7-methyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D210-0021
5-ethyl-7-methyl-2-(4-nitrophenyl)-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

D210-0021

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

5-ethyl-7-methyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

IUPAC name

5-ethyl-7-methyl-2-(4-nitrophenyl)-13-diazatricyclo[3.3.1.1^{37}]decan-6-one

SMILES

CCC1(CN(CC2(C)C3)C(c(cc4)ccc4[N+]([O-])=O)N3C1)C2=O

InChI

InChI=1S/C17H23N3O3/c1-3-17-10-18-8-16(2,15(17)21)9-19(11-17)14(18)12-4-6-13(7-5-12)20(22)23/h4-7,14,18-19H,3,8-11H2,1-2H3

InChI Key

TZPJPOHTOQSEGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07206204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.609

Distribution Coefficient, logD

2.609

Water Solubility, LogSw

-2.83

Polar Surface Area

53.300

Acid Dissociation Constant (pKa)

28.91

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

D210-0021 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D210-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D210-0021?
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What is the minimum amount of D210-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D210-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D210-0021
  • 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 D210-0021 available by request