S826-7377 Screening compound: {(3S,4S)-1-(4-isopropylbenzyl)-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-3-yl}methanol

S826-7377 Screening compound: {(3S,4S)-1-(4-isopropylbenzyl)-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-3-yl}methanol
S826-7377 Screening compound: {(3S,4S)-1-(4-isopropylbenzyl)-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-3-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S826-7377
{(3S,4S)-1-(4-isopropylbenzyl)-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-3-yl}methanol

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

S826-7377

Molecular Formula

C20H29N3O3 (C20 H29 N3 O3)

Compound Name

{(3S,4S)-1-(4-isopropylbenzyl)-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-3-yl}methanol

IUPAC name

n/a

SMILES

CC(C)c1ccc(CN(C[C@@H]2CO)C[C@@H]2c2nc(CCOC)no2)cc1

InChI

InChI=1S/C20H29N3O3/c1-14(2)16-6-4-15(5-7-16)10-23-11-17(13-24)18(12-23)20-21-19(22-26-20)8-9-25-3/h4-7,14,17-18,24H,8-13H2,1-3H3/t17-,18+/m1/s1

InChI Key

UCMQEIYZDQBUKY-MSOLQXFVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.927

Distribution Coefficient, logD

-0.263

Water Solubility, LogSw

-3.05

Polar Surface Area

62.329

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

10.59

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

S826-7377 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S826-7377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-7377?
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What is the minimum amount of S826-7377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-7377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-7377
  • 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 S826-7377 available by request