S721-1046 Screening compound: 1-[3-(1,3-benzothiazol-2-yl)propanoyl]-N-cyclopropyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

S721-1046 Screening compound: 1-[3-(1,3-benzothiazol-2-yl)propanoyl]-N-cyclopropyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
S721-1046 Screening compound: 1-[3-(1,3-benzothiazol-2-yl)propanoyl]-N-cyclopropyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-1046
1-[3-(1,3-benzothiazol-2-yl)propanoyl]-N-cyclopropyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

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

S721-1046

Molecular Formula

C23H24N4O3S (C23 H24 N4 O3 S)

Compound Name

1-[3-(1,3-benzothiazol-2-yl)propanoyl]-N-cyclopropyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

IUPAC name

(2S4S)-1-[3-(13-benzothiazol-2-yl)propanoyl]-N-cyclopropyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

SMILES

O=C(CCc1nc(cccc2)c2s1)N(C[C@H](C1)Oc2cnccc2)[C@@H]1C(NC1CC1)=O

InChI

InChI=1S/C23H24N4O3S/c28-22(10-9-21-26-18-5-1-2-6-20(18)31-21)27-14-17(30-16-4-3-11-24-13-16)12-19(27)23(29)25-15-7-8-15/h1-6,11,13,15,17,19H,7-10,12,14H2,(H,25,29)/t17-,19+/m1/s1

InChI Key

SFALSUOHFBAYAY-MJGOQNOKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.661

Distribution Coefficient, logD

2.649

Water Solubility, LogSw

-2.77

Polar Surface Area

66.818

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.13

S721-1046 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 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

Structure:
  • Pool
  • Mimetics
  • Mimetics
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S721-1046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-1046?
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What is the minimum amount of S721-1046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-1046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-1046
  • 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 S721-1046 available by request