SA14-1368 Screening compound: 12-(2-CYCLOHEXYLACETYL)-N~6~,N~6~-DIMETHYL-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE

SA14-1368 Screening compound: 12-(2-CYCLOHEXYLACETYL)-N~6~,N~6~-DIMETHYL-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE
SA14-1368 Screening compound: 12-(2-CYCLOHEXYLACETYL)-N~6~,N~6~-DIMETHYL-4-PHENYL-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 SA14-1368
12-(2-CYCLOHEXYLACETYL)-N~6~,N~6~-DIMETHYL-4-PHENYL-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

SA14-1368

Molecular Formula

C26H34N4O2 (C26 H34 N4 O2)

Compound Name

12-(2-CYCLOHEXYLACETYL)-N~6~,N~6~-DIMETHYL-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE

IUPAC name

(1R9S)-12-(2-cyclohexylacetyl)-NN-dimethyl-4-phenyl-3512-triazatricyclo[7.2.1.0^{37}]dodeca-46-diene-6-carboxamide

SMILES

c1(c2n(c(n1)c1ccccc1)C[C@@H]1N(C(CC3CCCCC3)=O)[C@H](C2)CC1)C(N(C)C)=O

InChI

InChI=1S/C26H34N4O2/c1-28(2)26(32)24-22-16-20-13-14-21(30(20)23(31)15-18-9-5-3-6-10-18)17-29(22)25(27-24)19-11-7-4-8-12-19/h4,7-8,11-12,18,20-21H,3,5-6,9-10,13-17H2,1-2H3/t20-,21-/m1/s1

InChI Key

CVHUFBWWAUORDC-NHCUHLMSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.126

Distribution Coefficient, logD

3.126

Water Solubility, LogSw

-3.08

Polar Surface Area

42.006

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.69

SA14-1368 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 SA14-1368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA14-1368?
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What is the minimum amount of SA14-1368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA14-1368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA14-1368
  • 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 SA14-1368 available by request