S399-1670 Screening compound: N-(3-methylphenyl)-N'-{2-[5-(3-pyridyl)-1,2,4-oxadiazol-3-yl]ethyl}urea

S399-1670 Screening compound: N-(3-methylphenyl)-N'-{2-[5-(3-pyridyl)-1,2,4-oxadiazol-3-yl]ethyl}urea
S399-1670 Screening compound: N-(3-methylphenyl)-N'-{2-[5-(3-pyridyl)-1,2,4-oxadiazol-3-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-1670
N-(3-methylphenyl)-N'-{2-[5-(3-pyridyl)-1,2,4-oxadiazol-3-yl]ethyl}urea

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

S399-1670

Molecular Formula

C17H17N5O2 (C17 H17 N5 O2)

Compound Name

N-(3-methylphenyl)-N'-{2-[5-(3-pyridyl)-1,2,4-oxadiazol-3-yl]ethyl}urea

IUPAC name

1-(3-methylphenyl)-3-{2-[5-(pyridin-3-yl)-124-oxadiazol-3-yl]ethyl}urea

SMILES

Cc1cccc(NC(NCCc2noc(-c3cnccc3)n2)=O)c1

InChI

InChI=1S/C17H17N5O2/c1-12-4-2-6-14(10-12)20-17(23)19-9-7-15-21-16(24-22-15)13-5-3-8-18-11-13/h2-6,8,10-11H,7,9H2,1H3,(H2,19,20,23)

InChI Key

DRBKVOKWJFVYSV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.238

Distribution Coefficient, logD

2.145

Water Solubility, LogSw

-2.48

Polar Surface Area

75.891

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

S399-1670 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S399-1670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-1670?
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What is the minimum amount of S399-1670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-1670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-1670
  • 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 S399-1670 available by request