S593-0823 Screening compound: ethyl 3-({2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonyl}amino)propanoate

S593-0823 Screening compound: ethyl 3-({2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonyl}amino)propanoate
S593-0823 Screening compound: ethyl 3-({2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonyl}amino)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S593-0823
ethyl 3-({2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonyl}amino)propanoate

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

S593-0823

Molecular Formula

C15H24N4O5 (C15 H24 N4 O5)

Compound Name

ethyl 3-({2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonyl}amino)propanoate

IUPAC name

ethyl 3-({2-[5-(ethoxymethyl)-124-oxadiazol-3-yl]pyrrolidine-1-carbonyl}amino)propanoate

SMILES

CCOCc1nc(C(CCC2)N2C(NCCC(OCC)=O)=O)no1

InChI

InChI=1S/C15H24N4O5/c1-3-22-10-12-17-14(18-24-12)11-6-5-9-19(11)15(21)16-8-7-13(20)23-4-2/h11H,3-10H2,1-2H3,(H,16,21)/t11-/m0/s1

InChI Key

NCWPKBYSQQVMRV-NSHDSACASA-N

MDL Number (MFCD)

MFCD29015292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.036

Distribution Coefficient, logD

1.036

Water Solubility, LogSw

-1.55

Polar Surface Area

86.763

Acid Dissociation Constant (pKa)

16.90

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.30

S593-0823 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S593-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S593-0823?
Check Price and Availability of S593-0823, 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 S593-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S593-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S593-0823
  • 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 S593-0823 available by request