SA14-1468 Screening compound: N~6~-ISOPROPYL-12-[(6-METHYL-3-PYRIDYL)CARBONYL]-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE

SA14-1468 Screening compound: N~6~-ISOPROPYL-12-[(6-METHYL-3-PYRIDYL)CARBONYL]-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE
SA14-1468 Screening compound: N~6~-ISOPROPYL-12-[(6-METHYL-3-PYRIDYL)CARBONYL]-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 SA14-1468
N~6~-ISOPROPYL-12-[(6-METHYL-3-PYRIDYL)CARBONYL]-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

SA14-1468

Molecular Formula

C26H29N5O2 (C26 H29 N5 O2)

Compound Name

N~6~-ISOPROPYL-12-[(6-METHYL-3-PYRIDYL)CARBONYL]-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE

IUPAC name

(1R9S)-12-(6-methylpyridine-3-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(c3cnc(cc3)C)=O)[C@H](C2)CC1)C(NC(C)C)=O

InChI

InChI=1S/C26H29N5O2/c1-16(2)28-25(32)23-22-13-20-11-12-21(31(20)26(33)19-10-9-17(3)27-14-19)15-30(22)24(29-23)18-7-5-4-6-8-18/h4-10,14,16,20-21H,11-13,15H2,1-3H3,(H,28,32)/t20-,21+/m1/s1

InChI Key

IPWAIHLKRMXSFW-RTWAWAEBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

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

2.404

Distribution Coefficient, logD

2.404

Water Solubility, LogSw

-2.61

Polar Surface Area

58.944

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.46

SA14-1468 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 SA14-1468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA14-1468?
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What is the minimum amount of SA14-1468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA14-1468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA14-1468
  • 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 SA14-1468 available by request