SA12-0650 Screening compound: 12-[(2,5-DIMETHOXYPHENYL)SULFONYL]-4-(2-METHOXYETHYL)-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE

SA12-0650 Screening compound: 12-[(2,5-DIMETHOXYPHENYL)SULFONYL]-4-(2-METHOXYETHYL)-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE
SA12-0650 Screening compound: 12-[(2,5-DIMETHOXYPHENYL)SULFONYL]-4-(2-METHOXYETHYL)-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE alternative view

Chemical Structure Depiction of ChemDiv screening compound SA12-0650
12-[(2,5-DIMETHOXYPHENYL)SULFONYL]-4-(2-METHOXYETHYL)-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

SA12-0650

Molecular Formula

C19H26N4O5S (C19 H26 N4 O5 S)

Compound Name

12-[(2,5-DIMETHOXYPHENYL)SULFONYL]-4-(2-METHOXYETHYL)-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE

IUPAC name

12-(25-dimethoxybenzenesulfonyl)-4-(2-methoxyethyl)-35612-tetraazatricyclo[7.2.1.0^{37}]dodeca-46-diene

SMILES

S(N1[C@H]2Cn3c(nnc3CCOC)C[C@@H]1CC2)(c1cc(ccc1OC)OC)(=O)=O

InChI

InChI=1S/C19H26N4O5S/c1-26-9-8-18-20-21-19-10-13-4-5-14(12-22(18)19)23(13)29(24,25)17-11-15(27-2)6-7-16(17)28-3/h6-7,11,13-14H,4-5,8-10,12H2,1-3H3

InChI Key

DRRSNTZDIVSFEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31972677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.287

Distribution Coefficient, logD

0.287

Water Solubility, LogSw

-2.14

Polar Surface Area

81.905

Acid Dissociation Constant (pKa)

20.27

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.90

SA12-0650 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA12-0650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA12-0650?
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What is the minimum amount of SA12-0650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA12-0650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA12-0650
  • 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 SA12-0650 available by request