S959-0897 Screening compound: 1,3-dimethyl-N-{2-[3-(morpholin-4-yl)-2-oxopyrrolidin-1-yl]ethyl}-1H-pyrazole-5-carboxamide

S959-0897 Screening compound: 1,3-dimethyl-N-{2-[3-(morpholin-4-yl)-2-oxopyrrolidin-1-yl]ethyl}-1H-pyrazole-5-carboxamide
S959-0897 Screening compound: 1,3-dimethyl-N-{2-[3-(morpholin-4-yl)-2-oxopyrrolidin-1-yl]ethyl}-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S959-0897
1,3-dimethyl-N-{2-[3-(morpholin-4-yl)-2-oxopyrrolidin-1-yl]ethyl}-1H-pyrazole-5-carboxamide

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

S959-0897

Molecular Formula

C16H25N5O3 (C16 H25 N5 O3)

Compound Name

1,3-dimethyl-N-{2-[3-(morpholin-4-yl)-2-oxopyrrolidin-1-yl]ethyl}-1H-pyrazole-5-carboxamide

IUPAC name

13-dimethyl-N-{2-[3-(morpholin-4-yl)-2-oxopyrrolidin-1-yl]ethyl}-1H-pyrazole-5-carboxamide

SMILES

Cc1nn(C)c(C(NCCN(CCC2N3CCOCC3)C2=O)=O)c1

InChI

InChI=1S/C16H25N5O3/c1-12-11-14(19(2)18-12)15(22)17-4-6-21-5-3-13(16(21)23)20-7-9-24-10-8-20/h11,13H,3-10H2,1-2H3,(H,17,22)/t13-/m0/s1

InChI Key

LFSMRUPWEDZHBI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD32231260

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-1.251

Distribution Coefficient, logD

-1.252

Water Solubility, LogSw

-1.32

Polar Surface Area

65.517

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.75

S959-0897 in Drug Discovery

Included in Screening Libraries

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

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S959-0897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S959-0897?
Check Price and Availability of S959-0897, 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 S959-0897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S959-0897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S959-0897
  • 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 S959-0897 available by request