S593-0888 Screening compound: {3-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}methanol

S593-0888 Screening compound: {3-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}methanol
S593-0888 Screening compound: {3-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S593-0888
{3-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}methanol

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

S593-0888

Molecular Formula

C12H13N5O3 (C12 H13 N5 O3)

Compound Name

{3-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}methanol

IUPAC name

{3-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-124-oxadiazol-5-yl}methanol

SMILES

OCc1nc(C(CCC2)N2C(c2nccnc2)=O)no1

InChI

InChI=1S/C12H13N5O3/c18-7-10-15-11(16-20-10)9-2-1-5-17(9)12(19)8-6-13-3-4-14-8/h3-4,6,9,18H,1-2,5,7H2/t9-/m0/s1

InChI Key

CPJYMFZEUOLEJY-VIFPVBQESA-N

MDL Number (MFCD)

MFCD31963385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.671

Distribution Coefficient, logD

-0.671

Water Solubility, LogSw

-0.50

Polar Surface Area

83.971

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

S593-0888 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S593-0888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S593-0888?
Check Price and Availability of S593-0888, 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 S593-0888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S593-0888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S593-0888
  • 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 S593-0888 available by request