S721-1964 Screening compound: (2S,4S)-1-(4-methoxybenzoyl)-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-2-carboxamide

S721-1964 Screening compound: (2S,4S)-1-(4-methoxybenzoyl)-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-2-carboxamide
S721-1964 Screening compound: (2S,4S)-1-(4-methoxybenzoyl)-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-1964
(2S,4S)-1-(4-methoxybenzoyl)-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

S721-1964

Molecular Formula

C18H19N3O4 (C18 H19 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(N(C[C@H](C1)Oc2cnccc2)[C@@H]1C(N)=O)=O

InChI

InChI=1S/C18H19N3O4/c1-24-13-6-4-12(5-7-13)18(23)21-11-15(9-16(21)17(19)22)25-14-3-2-8-20-10-14/h2-8,10,15-16H,9,11H2,1H3,(H2,19,22)/t15-,16+/m1/s1

InChI Key

UEAYHYORVSEZLZ-CVEARBPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.37

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

0.728

Distribution Coefficient, logD

0.715

Water Solubility, LogSw

-0.73

Polar Surface Area

74.262

Acid Dissociation Constant (pKa)

15.17

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.78

S721-1964 in Drug Discovery

Included in Screening Libraries

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 S721-1964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-1964?
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What is the minimum amount of S721-1964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-1964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-1964
  • 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 S721-1964 available by request