SA14-1462 Screening compound: N~6~-ISOPROPYL-4-PHENYL-12-(TETRAHYDRO-2H-PYRAN-4-YLCARBONYL)-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE

SA14-1462 Screening compound: N~6~-ISOPROPYL-4-PHENYL-12-(TETRAHYDRO-2H-PYRAN-4-YLCARBONYL)-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE
SA14-1462 Screening compound: N~6~-ISOPROPYL-4-PHENYL-12-(TETRAHYDRO-2H-PYRAN-4-YLCARBONYL)-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 SA14-1462
N~6~-ISOPROPYL-4-PHENYL-12-(TETRAHYDRO-2H-PYRAN-4-YLCARBONYL)-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

SA14-1462

Molecular Formula

C25H32N4O3 (C25 H32 N4 O3)

Compound Name

N~6~-ISOPROPYL-4-PHENYL-12-(TETRAHYDRO-2H-PYRAN-4-YLCARBONYL)-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE

IUPAC name

(1R9S)-12-(oxane-4-carbonyl)-4-phenyl-N-(propan-2-yl)-3512-triazatricyclo[7.2.1.0^{37}]dodeca-46-diene-6-carboxamide

SMILES

c1(c2n(c(n1)c1ccccc1)C[C@@H]1N(C(=O)C3CCOCC3)[C@H](C2)CC1)C(NC(C)C)=O

InChI

InChI=1S/C25H32N4O3/c1-16(2)26-24(30)22-21-14-19-8-9-20(29(19)25(31)18-10-12-32-13-11-18)15-28(21)23(27-22)17-6-4-3-5-7-17/h3-7,16,18-20H,8-15H2,1-2H3,(H,26,30)/t19-,20-/m1/s1

InChI Key

HGTYKYNQBLYBTH-WOJBJXKFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.212

Distribution Coefficient, logD

2.212

Water Solubility, LogSw

-2.60

Polar Surface Area

58.100

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.00

SA14-1462 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 SA14-1462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA14-1462?
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What is the minimum amount of SA14-1462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA14-1462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA14-1462
  • 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 SA14-1462 available by request