SA14-1204 Screening compound: 12-[2-(4-FLUOROPHENOXY)ACETYL]-N~6~-METHYL-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE

SA14-1204 Screening compound: 12-[2-(4-FLUOROPHENOXY)ACETYL]-N~6~-METHYL-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE
SA14-1204 Screening compound: 12-[2-(4-FLUOROPHENOXY)ACETYL]-N~6~-METHYL-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 SA14-1204
12-[2-(4-FLUOROPHENOXY)ACETYL]-N~6~-METHYL-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

SA14-1204

Molecular Formula

C25H25FN4O3 (C25 H25 FN4 O3)

Compound Name

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

IUPAC name

(1R9S)-12-[2-(4-fluorophenoxy)acetyl]-N-methyl-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@@H](C2)CC1)C(COc1ccc(F)cc1)=O

InChI

InChI=1S/C25H25FN4O3/c1-27-25(32)23-21-13-18-9-10-19(14-29(21)24(28-23)16-5-3-2-4-6-16)30(18)22(31)15-33-20-11-7-17(26)8-12-20/h2-8,11-12,18-19H,9-10,13-15H2,1H3,(H,27,32)/t18-,19+/m1/s1

InChI Key

HHKGKUZGMHSKKX-MOPGFXCFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.176

Distribution Coefficient, logD

2.176

Water Solubility, LogSw

-2.55

Polar Surface Area

58.148

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.00

SA14-1204 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with SA14-1204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA14-1204?
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What is the minimum amount of SA14-1204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA14-1204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA14-1204
  • 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 SA14-1204 available by request