S571-0361 Screening compound: 3-(1,3-benzothiazol-2-yl)-N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}propanamide

S571-0361 Screening compound: 3-(1,3-benzothiazol-2-yl)-N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}propanamide
S571-0361 Screening compound: 3-(1,3-benzothiazol-2-yl)-N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S571-0361
3-(1,3-benzothiazol-2-yl)-N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}propanamide

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

S571-0361

Molecular Formula

C23H27N3O2S (C23 H27 N3 O2 S)

Compound Name

3-(1,3-benzothiazol-2-yl)-N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}propanamide

IUPAC name

3-(13-benzothiazol-2-yl)-N-{[1-(cyclopropylmethyl)-2-oxo-1H2H3H4H4aH5H6H-cyclopenta[b]pyridin-4a-yl]methyl}propanamide

SMILES

O=C(CCc1nc(cccc2)c2s1)NCC1(CCC(N2CC3CC3)=O)C2=CCC1

InChI

InChI=1S/C23H27N3O2S/c27-20(9-10-21-25-17-4-1-2-5-18(17)29-21)24-15-23-12-3-6-19(23)26(14-16-7-8-16)22(28)11-13-23/h1-2,4-6,16H,3,7-15H2,(H,24,27)/t23-/m0/s1

InChI Key

XYFSQHMBUIONAV-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD31992444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.151

Distribution Coefficient, logD

4.151

Water Solubility, LogSw

-4.29

Polar Surface Area

50.935

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.17

S571-0361 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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

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 S571-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0361?
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What is the minimum amount of S571-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0361
  • 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 S571-0361 available by request