SA14-1111 Screening compound: 12-[2-(3-METHYLPHENOXY)ACETYL]-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE

SA14-1111 Screening compound: 12-[2-(3-METHYLPHENOXY)ACETYL]-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE
SA14-1111 Screening compound: 12-[2-(3-METHYLPHENOXY)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 SA14-1111
12-[2-(3-METHYLPHENOXY)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

SA14-1111

Molecular Formula

C25H26N4O3 (C25 H26 N4 O3)

Compound Name

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

IUPAC name

(1R9S)-12-[2-(3-methylphenoxy)acetyl]-4-phenyl-3512-triazatricyclo[7.2.1.0^{37}]dodeca-46-diene-6-carboxamide

SMILES

n12c(c(nc1c1ccccc1)C(=O)N)C[C@H]1N([C@@H](C2)CC1)C(COc1cc(ccc1)C)=O

InChI

InChI=1S/C25H26N4O3/c1-16-6-5-9-20(12-16)32-15-22(30)29-18-10-11-19(29)14-28-21(13-18)23(24(26)31)27-25(28)17-7-3-2-4-8-17/h2-9,12,18-19H,10-11,13-15H2,1H3,(H2,26,31)/t18-,19-/m1/s1

InChI Key

LZORZKCJGITVJT-RTBURBONSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.498

Distribution Coefficient, logD

2.498

Water Solubility, LogSw

-2.75

Polar Surface Area

67.371

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.00

SA14-1111 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 SA14-1111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA14-1111?
Check Price and Availability of SA14-1111, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA14-1111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA14-1111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA14-1111
  • 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 SA14-1111 available by request