SA12-0074 Screening compound: 4-METHYL-N~12~-[3-(TRIFLUOROMETHYL)PHENYL]-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-12-CARBOXAMIDE

SA12-0074 Screening compound: 4-METHYL-N~12~-[3-(TRIFLUOROMETHYL)PHENYL]-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-12-CARBOXAMIDE
SA12-0074 Screening compound: 4-METHYL-N~12~-[3-(TRIFLUOROMETHYL)PHENYL]-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-12-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound SA12-0074
4-METHYL-N~12~-[3-(TRIFLUOROMETHYL)PHENYL]-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-12-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

SA12-0074

Molecular Formula

C17H18F3N5O (C17 H18 F3 N5 O)

Compound Name

4-METHYL-N~12~-[3-(TRIFLUOROMETHYL)PHENYL]-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-12-CARBOXAMIDE

IUPAC name

4-methyl-N-[3-(trifluoromethyl)phenyl]-35612-tetraazatricyclo[7.2.1.0^{37}]dodeca-46-diene-12-carboxamide

SMILES

n12c(nnc1C)C[C@H]1N(C(Nc3cc(C(F)(F)F)ccc3)=O)[C@@H](C2)CC1

InChI

InChI=1S/C17H18F3N5O/c1-10-22-23-15-8-13-5-6-14(9-24(10)15)25(13)16(26)21-12-4-2-3-11(7-12)17(18,19)20/h2-4,7,13-14H,5-6,8-9H2,1H3,(H,21,26)

InChI Key

QWKKWSDCRFFHNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31999613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.538

Distribution Coefficient, logD

1.538

Water Solubility, LogSw

-2.08

Polar Surface Area

50.394

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.06

SA12-0074 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA12-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA12-0074?
Check Price and Availability of SA12-0074, 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 SA12-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA12-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA12-0074
  • 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 SA12-0074 available by request