S399-1606 Screening compound: 1-(3-METHOXYPROPYL)-2,5-DIMETHYL-N-{2-[5-(PYRIDIN-3-YL)-1,2,4-OXADIAZOL-3-YL]ETHYL}-1H-PYRROLE-3-CARBOXAMIDE

S399-1606 Screening compound: 1-(3-METHOXYPROPYL)-2,5-DIMETHYL-N-{2-[5-(PYRIDIN-3-YL)-1,2,4-OXADIAZOL-3-YL]ETHYL}-1H-PYRROLE-3-CARBOXAMIDE
S399-1606 Screening compound: 1-(3-METHOXYPROPYL)-2,5-DIMETHYL-N-{2-[5-(PYRIDIN-3-YL)-1,2,4-OXADIAZOL-3-YL]ETHYL}-1H-PYRROLE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-1606
1-(3-METHOXYPROPYL)-2,5-DIMETHYL-N-{2-[5-(PYRIDIN-3-YL)-1,2,4-OXADIAZOL-3-YL]ETHYL}-1H-PYRROLE-3-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

S399-1606

Molecular Formula

C20H25N5O3 (C20 H25 N5 O3)

Compound Name

1-(3-METHOXYPROPYL)-2,5-DIMETHYL-N-{2-[5-(PYRIDIN-3-YL)-1,2,4-OXADIAZOL-3-YL]ETHYL}-1H-PYRROLE-3-CARBOXAMIDE

IUPAC name

n/a

SMILES

Cc1cc(C(NCCc2noc(-c3cnccc3)n2)=O)c(C)n1CCCOC

InChI

InChI=1S/C20H25N5O3/c1-14-12-17(15(2)25(14)10-5-11-27-3)19(26)22-9-7-18-23-20(28-24-18)16-6-4-8-21-13-16/h4,6,8,12-13H,5,7,9-11H2,1-3H3,(H,22,26)

InChI Key

OORPIFDLFANZPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31960256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.456

Distribution Coefficient, logD

1.363

Water Solubility, LogSw

-1.69

Polar Surface Area

77.193

Acid Dissociation Constant (pKa)

14.22

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

S399-1606 in Drug Discovery

Included in Screening Libraries

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 S399-1606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-1606?
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What is the minimum amount of S399-1606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-1606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-1606
  • 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 S399-1606 available by request