4123-0364 Screening compound: 5,7-dimethyl-2-(5-nitro-2-furyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

4123-0364 Screening compound: 5,7-dimethyl-2-(5-nitro-2-furyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
4123-0364 Screening compound: 5,7-dimethyl-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 4123-0364
5,7-dimethyl-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

4123-0364

Molecular Formula

C14H17N3O4 (C14 H17 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C14H17N3O4/c1-13-5-15-7-14(2,12(13)18)8-16(6-13)11(15)9-3-4-10(21-9)17(19)20/h3-4,11H,5-8H2,1-2H3

InChI Key

DTWFWAJUJUJRBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.330

Distribution Coefficient, logD

1.330

Water Solubility, LogSw

-2.24

Polar Surface Area

62.578

Acid Dissociation Constant (pKa)

30.41

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.30

4123-0364 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 4123-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4123-0364?
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What is the minimum amount of 4123-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4123-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4123-0364
  • 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 4123-0364 available by request