4123-0370 Screening compound: 5,7-diethyl-2-(5-nitro-2-furyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

4123-0370 Screening compound: 5,7-diethyl-2-(5-nitro-2-furyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
4123-0370 Screening compound: 5,7-diethyl-2-(5-nitro-2-furyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4123-0370
5,7-diethyl-2-(5-nitro-2-furyl)-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

4123-0370

Molecular Formula

C16H21N3O4 (C16 H21 N3 O4)

Compound Name

5,7-diethyl-2-(5-nitro-2-furyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

IUPAC name

57-diethyl-2-(5-nitrofuran-2-yl)-13-diazatricyclo[3.3.1.1^{37}]decan-6-one

SMILES

CCC(C1)(CN2C(c3ccc([N+]([O-])=O)o3)N1CC1(CC)C2)C1=O

InChI

InChI=1S/C16H21N3O4/c1-3-15-7-17-9-16(4-2,14(15)20)10-18(8-15)13(17)11-5-6-12(23-11)19(21)22/h5-6,13H,3-4,7-10H2,1-2H3

InChI Key

AECYXACDIKKMNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.128

Distribution Coefficient, logD

2.128

Water Solubility, LogSw

-2.46

Polar Surface Area

62.578

Acid Dissociation Constant (pKa)

28.91

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.80

4123-0370 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4123-0370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4123-0370?
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What is the minimum amount of 4123-0370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4123-0370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4123-0370
  • 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 4123-0370 available by request