S743-0097 Screening compound: 4-{1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}-3-methoxy-1-(propan-2-yl)azetidin-2-one

S743-0097 Screening compound: 4-{1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}-3-methoxy-1-(propan-2-yl)azetidin-2-one
S743-0097 Screening compound: 4-{1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}-3-methoxy-1-(propan-2-yl)azetidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S743-0097
4-{1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}-3-methoxy-1-(propan-2-yl)azetidin-2-one

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

S743-0097

Molecular Formula

C22H29N3O3S (C22 H29 N3 O3 S)

Compound Name

4-{1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}-3-methoxy-1-(propan-2-yl)azetidin-2-one

IUPAC name

(3R4S)-4-{1-[3-(13-benzothiazol-2-yl)propanoyl]piperidin-4-yl}-3-methoxy-1-(propan-2-yl)azetidin-2-one

SMILES

CC(C)N([C@@H]([C@@H]1OC)C(CC2)CCN2C(CCc2nc(cccc3)c3s2)=O)C1=O

InChI

InChI=1S/C22H29N3O3S/c1-14(2)25-20(21(28-3)22(25)27)15-10-12-24(13-11-15)19(26)9-8-18-23-16-6-4-5-7-17(16)29-18/h4-7,14-15,20-21H,8-13H2,1-3H3/t20-,21-/m1/s1

InChI Key

TXGVCTSFRHLBED-NHCUHLMSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.555

Distribution Coefficient, logD

2.555

Water Solubility, LogSw

-2.56

Polar Surface Area

49.526

Acid Dissociation Constant (pKa)

21.60

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

59.09

S743-0097 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S743-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S743-0097?
Check Price and Availability of S743-0097, 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 S743-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S743-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S743-0097
  • 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 S743-0097 available by request