SA14-1277 Screening compound: N~6~-METHYL-12-[2-(2-METHYL-1H-IMIDAZOL-1-YL)ACETYL]-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE

SA14-1277 Screening compound: N~6~-METHYL-12-[2-(2-METHYL-1H-IMIDAZOL-1-YL)ACETYL]-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE
SA14-1277 Screening compound: N~6~-METHYL-12-[2-(2-METHYL-1H-IMIDAZOL-1-YL)ACETYL]-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 SA14-1277
N~6~-METHYL-12-[2-(2-METHYL-1H-IMIDAZOL-1-YL)ACETYL]-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

SA14-1277

Molecular Formula

C23H26N6O2 (C23 H26 N6 O2)

Compound Name

N~6~-METHYL-12-[2-(2-METHYL-1H-IMIDAZOL-1-YL)ACETYL]-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE

IUPAC name

(1R9S)-N-methyl-12-[2-(2-methyl-1H-imidazol-1-yl)acetyl]-4-phenyl-3512-triazatricyclo[7.2.1.0^{37}]dodeca-46-diene-6-carboxamide

SMILES

n12c(c(nc1c1ccccc1)C(=O)NC)C[C@H]1N(C(Cn3c(ncc3)C)=O)[C@@H](C2)CC1

InChI

InChI=1S/C23H26N6O2/c1-15-25-10-11-27(15)14-20(30)29-17-8-9-18(29)13-28-19(12-17)21(23(31)24-2)26-22(28)16-6-4-3-5-7-16/h3-7,10-11,17-18H,8-9,12-14H2,1-2H3,(H,24,31)/t17-,18-/m1/s1

InChI Key

JCSFQAYJGPTZNH-QZTJIDSGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.394

Distribution Coefficient, logD

-0.631

Water Solubility, LogSw

-1.83

Polar Surface Area

63.207

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.13

SA14-1277 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 SA14-1277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA14-1277?
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What is the minimum amount of SA14-1277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA14-1277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA14-1277
  • 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 SA14-1277 available by request