SA14-1349 Screening compound: 12-[(1,5-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-N~6~,N~6~-DIMETHYL-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE

SA14-1349 Screening compound: 12-[(1,5-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-N~6~,N~6~-DIMETHYL-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE
SA14-1349 Screening compound: 12-[(1,5-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-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 SA14-1349
12-[(1,5-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-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

SA14-1349

Molecular Formula

C24H30N6O (C24 H30 N6 O)

Compound Name

12-[(1,5-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-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-[(15-dimethyl-1H-pyrazol-4-yl)methyl]-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(Cc3c(n(nc3)C)C)[C@H](C2)CC1)C(N(C)C)=O

InChI

InChI=1S/C24H30N6O/c1-16-18(13-25-28(16)4)14-29-19-10-11-20(29)15-30-21(12-19)22(24(31)27(2)3)26-23(30)17-8-6-5-7-9-17/h5-9,13,19-20H,10-12,14-15H2,1-4H3/t19-,20-/m1/s1

InChI Key

ZHHDENVKFGSYAW-WOJBJXKFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.298

Distribution Coefficient, logD

1.080

Water Solubility, LogSw

-1.78

Polar Surface Area

44.243

Acid Dissociation Constant (pKa)

22.70

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.83

SA14-1349 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 SA14-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA14-1349?
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What is the minimum amount of SA14-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA14-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA14-1349
  • 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 SA14-1349 available by request