S721-1979 Screening compound: (2S,4S)-1-(3-cyanobenzoyl)-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-2-carboxamide

S721-1979 Screening compound: (2S,4S)-1-(3-cyanobenzoyl)-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-2-carboxamide
S721-1979 Screening compound: (2S,4S)-1-(3-cyanobenzoyl)-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-1979
(2S,4S)-1-(3-cyanobenzoyl)-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-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

S721-1979

Molecular Formula

C18H16N4O3 (C18 H16 N4 O3)

Compound Name

(2S,4S)-1-(3-cyanobenzoyl)-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-2-carboxamide

IUPAC name

(2S4S)-1-(3-cyanobenzoyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

SMILES

NC([C@H](C[C@@H](C1)Oc2cnccc2)N1C(c1cc(C#N)ccc1)=O)=O

InChI

InChI=1S/C18H16N4O3/c19-9-12-3-1-4-13(7-12)18(24)22-11-15(8-16(22)17(20)23)25-14-5-2-6-21-10-14/h1-7,10,15-16H,8,11H2,(H2,20,23)/t15-,16+/m1/s1

InChI Key

WLULEQMWCXUYDL-CVEARBPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.282

Distribution Coefficient, logD

0.270

Water Solubility, LogSw

-0.77

Polar Surface Area

83.775

Acid Dissociation Constant (pKa)

15.17

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.22

S721-1979 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S721-1979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-1979?
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What is the minimum amount of S721-1979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-1979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-1979
  • 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 S721-1979 available by request