SA12-0207 Screening compound: 12-(BENZYLSULFONYL)-4-ISOPROPYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE

SA12-0207 Screening compound: 12-(BENZYLSULFONYL)-4-ISOPROPYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE
SA12-0207 Screening compound: 12-(BENZYLSULFONYL)-4-ISOPROPYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE alternative view

Chemical Structure Depiction of ChemDiv screening compound SA12-0207
12-(BENZYLSULFONYL)-4-ISOPROPYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE

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

SA12-0207

Molecular Formula

C18H24N4O2S (C18 H24 N4 O2 S)

Compound Name

12-(BENZYLSULFONYL)-4-ISOPROPYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE

IUPAC name

12-phenylmethanesulfonyl-4-(propan-2-yl)-35612-tetraazatricyclo[7.2.1.0^{37}]dodeca-46-diene

SMILES

S(N1[C@H]2Cn3c(nnc3C(C)C)C[C@@H]1CC2)(Cc1ccccc1)(=O)=O

InChI

InChI=1S/C18H24N4O2S/c1-13(2)18-20-19-17-10-15-8-9-16(11-21(17)18)22(15)25(23,24)12-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3

InChI Key

QAOGYMROAFDASZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32010979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.229

Distribution Coefficient, logD

1.229

Water Solubility, LogSw

-2.09

Polar Surface Area

57.306

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

SA12-0207 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA12-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA12-0207?
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What is the minimum amount of SA12-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA12-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA12-0207
  • 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 SA12-0207 available by request