S836-1976 Screening compound: N-[(furan-2-yl)methyl]-4-(methoxymethyl)-1-(pyrazin-2-yl)pyrrolidine-3-carboxamide

S836-1976 Screening compound: N-[(furan-2-yl)methyl]-4-(methoxymethyl)-1-(pyrazin-2-yl)pyrrolidine-3-carboxamide
S836-1976 Screening compound: N-[(furan-2-yl)methyl]-4-(methoxymethyl)-1-(pyrazin-2-yl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S836-1976
N-[(furan-2-yl)methyl]-4-(methoxymethyl)-1-(pyrazin-2-yl)pyrrolidine-3-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

S836-1976

Molecular Formula

C16H20N4O3 (C16 H20 N4 O3)

Compound Name

N-[(furan-2-yl)methyl]-4-(methoxymethyl)-1-(pyrazin-2-yl)pyrrolidine-3-carboxamide

IUPAC name

(3S4S)-N-[(furan-2-yl)methyl]-4-(methoxymethyl)-1-(pyrazin-2-yl)pyrrolidine-3-carboxamide

SMILES

COC[C@@H](CN(C1)c2nccnc2)[C@H]1C(NCc1ccco1)=O

InChI

InChI=1S/C16H20N4O3/c1-22-11-12-9-20(15-8-17-4-5-18-15)10-14(12)16(21)19-7-13-3-2-6-23-13/h2-6,8,12,14H,7,9-11H2,1H3,(H,19,21)/t12-,14+/m1/s1

InChI Key

KDLBYQKUJVTDJQ-OCCSQVGLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.140

Distribution Coefficient, logD

1.140

Water Solubility, LogSw

-1.69

Polar Surface Area

62.539

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.75

S836-1976 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S836-1976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S836-1976?
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What is the minimum amount of S836-1976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S836-1976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S836-1976
  • 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 S836-1976 available by request