S721-1044 Screening compound: (2S,4S)-N~2~-cyclopropyl-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]carbonyl}-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-2-carboxamide

S721-1044 Screening compound: (2S,4S)-N~2~-cyclopropyl-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]carbonyl}-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-2-carboxamide
S721-1044 Screening compound: (2S,4S)-N~2~-cyclopropyl-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]carbonyl}-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-1044
(2S,4S)-N~2~-cyclopropyl-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]carbonyl}-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

S721-1044

Molecular Formula

C24H25N5O4 (C24 H25 N5 O4)

Compound Name

(2S,4S)-N~2~-cyclopropyl-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]carbonyl}-4-(3-pyridyloxy)tetrahydro-1H-pyrrole-2-carboxamide

IUPAC name

n/a

SMILES

COc(cc1)ccc1-c1n[nH]cc1C(N(C[C@H](C1)Oc2cnccc2)[C@@H]1C(NC1CC1)=O)=O

InChI

InChI=1S/C24H25N5O4/c1-32-17-8-4-15(5-9-17)22-20(13-26-28-22)24(31)29-14-19(33-18-3-2-10-25-12-18)11-21(29)23(30)27-16-6-7-16/h2-5,8-10,12-13,16,19,21H,6-7,11,14H2,1H3,(H,26,28)(H,27,30)/t19-,21+/m1/s1

InChI Key

SMHPHJWXVKVQSR-CTNGQTDRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.898

Distribution Coefficient, logD

1.886

Water Solubility, LogSw

-2.09

Polar Surface Area

88.863

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

S721-1044 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S721-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-1044?
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What is the minimum amount of S721-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-1044
  • 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 S721-1044 available by request