SA14-1906 Screening compound: (1R,9S)-N,N-dimethyl-4-phenyl-12-propyl-3,5,12-triazatricyclo[7.2.1.0~3,7~]dodeca-4,6-diene-6-carboxamide

SA14-1906 Screening compound: (1R,9S)-N,N-dimethyl-4-phenyl-12-propyl-3,5,12-triazatricyclo[7.2.1.0~3,7~]dodeca-4,6-diene-6-carboxamide
SA14-1906 Screening compound: (1R,9S)-N,N-dimethyl-4-phenyl-12-propyl-3,5,12-triazatricyclo[7.2.1.0~3,7~]dodeca-4,6-diene-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA14-1906
(1R,9S)-N,N-dimethyl-4-phenyl-12-propyl-3,5,12-triazatricyclo[7.2.1.0~3,7~]dodeca-4,6-diene-6-carboxamide

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

SA14-1906

Molecular Formula

C21H28N4O (C21 H28 N4 O)

Compound Name

(1R,9S)-N,N-dimethyl-4-phenyl-12-propyl-3,5,12-triazatricyclo[7.2.1.0~3,7~]dodeca-4,6-diene-6-carboxamide

IUPAC name

(1R9S)-NN-dimethyl-4-phenyl-12-propyl-3512-triazatricyclo[7.2.1.0^{37}]dodeca-46-diene-6-carboxamide

SMILES

CCCN1[C@@H]2Cn3c(-c4ccccc4)nc(C(N(C)C)=O)c3C[C@H]1CC2

InChI

InChI=1S/C21H28N4O/c1-4-12-24-16-10-11-17(24)14-25-18(13-16)19(21(26)23(2)3)22-20(25)15-8-6-5-7-9-15/h5-9,16-17H,4,10-14H2,1-3H3/t16-,17-/m1/s1

InChI Key

HQAHYTLSTXNEJG-IAGOWNOFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.100

Distribution Coefficient, logD

2.099

Water Solubility, LogSw

-2.45

Polar Surface Area

30.007

Acid Dissociation Constant (pKa)

23.01

Base Dissociation Constant (pKb)

4.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.38

SA14-1906 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA14-1906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA14-1906?
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What is the minimum amount of SA14-1906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA14-1906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA14-1906
  • 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 SA14-1906 available by request