S248-3958 Screening compound: ethyl 3-[(3-{[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl}pyrrolidine-1-carbonyl)amino]propanoate

S248-3958 Screening compound: ethyl 3-[(3-{[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl}pyrrolidine-1-carbonyl)amino]propanoate
S248-3958 Screening compound: ethyl 3-[(3-{[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl}pyrrolidine-1-carbonyl)amino]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S248-3958
ethyl 3-[(3-{[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl}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

S248-3958

Molecular Formula

C18H28N4O5 (C18 H28 N4 O5)

Compound Name

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

IUPAC name

ethyl 3-[(3-{[5-(oxan-4-yl)-124-oxadiazol-3-yl]methyl}pyrrolidine-1-carbonyl)amino]propanoate

SMILES

CCOC(CCNC(N1CC(Cc2noc(C3CCOCC3)n2)CC1)=O)=O

InChI

InChI=1S/C18H28N4O5/c1-2-26-16(23)3-7-19-18(24)22-8-4-13(12-22)11-15-20-17(27-21-15)14-5-9-25-10-6-14/h13-14H,2-12H2,1H3,(H,19,24)/t13-/m0/s1

InChI Key

MBYRXZFPEISMIZ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD31985177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.997

Distribution Coefficient, logD

1.997

Water Solubility, LogSw

-2.28

Polar Surface Area

88.098

Acid Dissociation Constant (pKa)

16.56

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.78

References: we are preparing a list of scientific research reports with S248-3958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S248-3958?
Check Price and Availability of S248-3958, 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 S248-3958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S248-3958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S248-3958
  • 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 S248-3958 available by request