3379-0135 Screening compound: 5,7-diethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

3379-0135 Screening compound: 5,7-diethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
3379-0135 Screening compound: 5,7-diethyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-0135
5,7-diethyl-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

3379-0135

Molecular Formula

C18H23N3O3 (C18 H23 N3 O3)

Compound Name

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

IUPAC name

57-diethyl-2-(4-nitrophenyl)-13-diazatricyclo[3.3.1.1^{37}]decan-6-one

SMILES

CCC(C1)(CN2C(c(cc3)ccc3[N+]([O-])=O)N1CC1(CC)C2)C1=O

InChI

InChI=1S/C18H23N3O3/c1-3-17-9-19-11-18(4-2,16(17)22)12-20(10-17)15(19)13-5-7-14(8-6-13)21(23)24/h5-8,15H,3-4,9-12H2,1-2H3

InChI Key

YKNMTIQUNZJHJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01946212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.008

Distribution Coefficient, logD

3.008

Water Solubility, LogSw

-3.30

Polar Surface Area

53.300

Acid Dissociation Constant (pKa)

28.91

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

References: we are preparing a list of scientific research reports with 3379-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-0135?
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What is the minimum amount of 3379-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-0135
  • 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 3379-0135 available by request