S399-1898 Screening compound: 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methyl-N~3~-{2-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]ethyl}-3-isoxazolecarboxamide

S399-1898 Screening compound: 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methyl-N~3~-{2-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]ethyl}-3-isoxazolecarboxamide
S399-1898 Screening compound: 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methyl-N~3~-{2-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]ethyl}-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-1898
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methyl-N~3~-{2-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]ethyl}-3-isoxazolecarboxamide

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

S399-1898

Molecular Formula

C18H16ClN7O3 (C18 H16 ClN7 O3)

Compound Name

4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methyl-N~3~-{2-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]ethyl}-3-isoxazolecarboxamide

IUPAC name

n/a

SMILES

Cc1c(Cn2ncc(Cl)c2)c(C(NCCc2noc(-c3ccncc3)n2)=O)no1

InChI

InChI=1S/C18H16ClN7O3/c1-11-14(10-26-9-13(19)8-22-26)16(25-28-11)17(27)21-7-4-15-23-18(29-24-15)12-2-5-20-6-3-12/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,21,27)

InChI Key

HRPOUEKKKLCMBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29014293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.82

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.104

Distribution Coefficient, logD

1.103

Water Solubility, LogSw

-2.58

Polar Surface Area

103.327

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

S399-1898 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 S399-1898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-1898?
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What is the minimum amount of S399-1898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-1898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-1898
  • 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 S399-1898 available by request