S690-1126 Screening compound: 4-({1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}methyl)-N,N-dimethylbenzamide

S690-1126 Screening compound: 4-({1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}methyl)-N,N-dimethylbenzamide
S690-1126 Screening compound: 4-({1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}methyl)-N,N-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S690-1126
4-({1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}methyl)-N,N-dimethylbenzamide

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

S690-1126

Molecular Formula

C25H29N3O2S (C25 H29 N3 O2 S)

Compound Name

4-({1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}methyl)-N,N-dimethylbenzamide

IUPAC name

4-({1-[3-(13-benzothiazol-2-yl)propanoyl]piperidin-4-yl}methyl)-NN-dimethylbenzamide

SMILES

CN(C)C(c1ccc(CC(CC2)CCN2C(CCc2nc(cccc3)c3s2)=O)cc1)=O

InChI

InChI=1S/C25H29N3O2S/c1-27(2)25(30)20-9-7-18(8-10-20)17-19-13-15-28(16-14-19)24(29)12-11-23-26-21-5-3-4-6-22(21)31-23/h3-10,19H,11-17H2,1-2H3

InChI Key

ACWMOECDARZTTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31977469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.564

Distribution Coefficient, logD

3.564

Water Solubility, LogSw

-3.86

Polar Surface Area

42.304

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

S690-1126 in Drug Discovery

Included in Screening Libraries

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

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 S690-1126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S690-1126?
Check Price and Availability of S690-1126, 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 S690-1126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S690-1126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S690-1126
  • 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 S690-1126 available by request