S399-0587 Screening compound: methyl 2-({[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl}amino)acetate

S399-0587 Screening compound: methyl 2-({[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl}amino)acetate
S399-0587 Screening compound: methyl 2-({[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl}amino)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-0587
methyl 2-({[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl}amino)acetate

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

S399-0587

Molecular Formula

C11H16N4O4 (C11 H16 N4 O4)

Compound Name

methyl 2-({[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]carbamoyl}amino)acetate

IUPAC name

methyl 2-({[2-(5-cyclopropyl-124-oxadiazol-3-yl)ethyl]carbamoyl}amino)acetate

SMILES

COC(CNC(NCCc1noc(C2CC2)n1)=O)=O

InChI

InChI=1S/C11H16N4O4/c1-18-9(16)6-13-11(17)12-5-4-8-14-10(19-15-8)7-2-3-7/h7H,2-6H2,1H3,(H2,12,13,17)

InChI Key

ODTSHLMQEQRLRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29004924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.161

Distribution Coefficient, logD

0.161

Water Solubility, LogSw

-0.84

Polar Surface Area

89.069

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

S399-0587 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

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

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S399-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-0587?
Check Price and Availability of S399-0587, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S399-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-0587
  • 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 S399-0587 available by request